SCHEMBL7877367

SCHEMBL7877367

C=CC(=O)NCC(C)(C)Sc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TEAD1 P28347 2/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL717487 0.72 TGM2 (0.46) HPGDMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL7876973 0.71 ALDH1A1 (0.48) HPGDHSD17B10TSHRMEN1KMT2A
SCHEMBL721957 0.69 TGM2 (0.51) KMT2ACYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL4927519 0.68 TGM2 (0.69) HPGDMEN1KMT2ASMN1; SMN2TEAD1
SCHEMBL10066855 0.68 POLB (0.36) HPGDHSD17B10TSHRMEN1KMT2A
SCHEMBL19069377 0.67 ALDH1A1 (0.50) TSHRMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL21515782 0.67 DRD2 (0.48) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4789482 0.66 TSHR (0.54) HSD17B10TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL138083 0.66 ALDH1A1 (0.54) TSHRMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL195429 0.66 ALDH1A1 (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed