SCHEMBL8329657

SCHEMBL8329657

O=[C]Cc1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ALDH1A1 P00352 6/20 0.42
ALDH1A3 P47895 2/20 0.41
ALDH3A1 P30838 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.40
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2A13 Q16696 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.37
TRIM24 O15164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11139354 0.84 CYP3A4 (0.42) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL28781884 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCYP3A4TSHR
SCHEMBL4137976 0.81 CYP2A6 (0.41) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2563564 0.81 EGFR (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3976211 0.78 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL11130220 0.78 CYP2A6 (0.38) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3985166 0.76 ALDH5A1 (0.41) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5429778 0.76 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL18427888 0.76 HRH3 (0.41) LMNACYP3A4TSHR
SCHEMBL6599690 0.75 CYP2A6 (0.39) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769445-A Process for the solid phase synthesis of peptides which contain sulfated tyrosine PENNWALT CORPORATION (US) 1988-09-06 US claimed
EP-0161468-A2 Process for the solid phase synthesis of peptides which contain sulfated tyrosine PENNWALT CORPORATION (US) 1985-11-21 EP claimed
US-4134768-A Photographic uses of polyvinyl-phenylmercapto-tetrazoles POLAROID CORPORATION (US) 1979-01-16 US claimed
EP-0558671-B1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMA LP (US) 1999-01-27 EP disclosed
US-5556762-A Scanning synthetic peptide combinatorial libraries: oligopeptide mixture sets having a one predetermined residue at a single, predetermined position, methods of making and using the same HOUGHTEN PHARMACEUTICAL INC. (US) 1996-09-17 US disclosed
US-5504190-A Equimolar multiple oligomer mixtures, especially oligopeptide mixtures TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1996-04-02 US disclosed
EP-0558671-A4 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMA LP (US) 1994-05-11 EP disclosed
EP-0558671-A1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMACEUTICALS LTD. PARTNERSHIP (US) 1993-09-08 EP disclosed
WO-1992009300-A1 SYNTHESIS OF EQUIMOLAR MULTIPLE OLIGOMER MIXTURES, ESPECIALLY OF OLIGOPEPTIDE MIXTURES ITEREX PHARMACEUTICALS LTD. PARTNERSHIP (US) 1992-06-11 WO disclosed
EP-0196174-B1 MEANS FOR SEQUENTIAL SOLID PHASE ORGANIC SYNTHESIS AND METHODS USING THE SAME SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-01-17 EP disclosed
US-4769445-A Process for the solid phase synthesis of peptides which contain sulfated tyrosine PENNWALT CORPORATION (US) 1988-09-06 US disclosed
US-4631211-A REACTIVE PARTICLES ENCLOSED IN WATER AND SOLVENT-INSOLUBLE MESH CONTAINER; PEPTIDE SYNTHESIS SCRIPPS CLINIC & RESEARCH FOUNDATION (US) 1986-12-23 US disclosed
EP-0196174-A2 Means for sequential solid phase organic synthesis and methods using the same SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1986-10-01 EP disclosed
EP-0161468-A2 Process for the solid phase synthesis of peptides which contain sulfated tyrosine PENNWALT CORPORATION (US) 1985-11-21 EP disclosed