SCHEMBL8845599

SCHEMBL8845599

Cc1cc2c(cc1O)Oc1cc(O)c(C)cc1C2=CCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL8845451 0.75 MAOB (0.41) KDM4EMAPTHSD17B10
SCHEMBL8845526 0.75 HMGB1 (0.31) —
SCHEMBL8845590 0.70 CYP3A4 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8845603 0.70 TYR (0.39) —
SCHEMBL13542765 0.65 TYR (0.40) KDM4EALDH1A1MAPTHSD17B10
Acetic Acid SCHEMBL7711702 0.59 MAPT (0.57) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11224761 0.58 MAPT (0.45) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19765525 0.57 ALOX15 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13646691 0.57 MAOA (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Acetic Acid SCHEMBL28882906 0.57 PAM (0.40) MAPTCYP2C9NPSR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625081-A XANTHENE DYE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-29 — — US disclosed
US-5608063-A Method, system and reagents for DNA sequencing E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-04 — — US disclosed
US-5558991-A DNA sequencing method using acyclonucleoside triphosphates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 — — US disclosed
EP-0309969-B1 Method of gene mapping DU PONT (US) 1995-07-19 — — EP disclosed
EP-0252683-B1 Process and reagents for DNA sequence analysis DU PONT (US) 1995-01-18 — — EP disclosed
EP-0251786-B1 Alkynylamino-nucleotides DU PONT (US) 1994-11-30 — — EP disclosed
US-5332666-A Reporter-labeled chain terminator reacted with DNA nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 — — US disclosed
US-5306618-A Using xanthene dye reporter labeled DNA fragments E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-26 — — US disclosed
US-5242796-A Fluorescent xanthene dye E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-07 — — US disclosed
US-5151507-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-29 — — US disclosed
US-5102785-A Cleaving to produce DNA fragment which are then end labeled with reporter, again cleaved to produce short fragment, separatiion; analysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 — — US disclosed
US-5047519-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-10 — — US disclosed
EP-0309969-A2 Method of gene mapping E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-05 — — EP disclosed
EP-0252683-A2 Process and reagents for DNA sequence analysis E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-13 — — EP disclosed
EP-0251786-A2 Alkynylamino-nucleotides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 — — EP disclosed
Send feedback