SCHEMBL7873455

SCHEMBL7873455

CCC(CC)(CO)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
CYP2A6 P11509 2/20 0.45
CYP19A1 P11511 3/20 0.43
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
EPHX2 P34913 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
ABCC9 O60706 1/20 0.38
KCNJ11 Q14654 1/20 0.38
PTPN5 P54829 1/20 0.38
MLYCD O95822 1/20 0.37
MMP3 P08254 1/20 0.36
ENPP2 Q13822 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL11186593 0.76 KIF11 (0.53) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL13174275 0.74 KIF11 (0.52) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL6496377 0.74 KIF11 (0.52) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL13891047 0.74 KIF11 (0.52) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL30526000 0.74 KIF11 (0.55) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL3434654 0.74 KIF11 (0.55) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL19965674 0.74 KIF11 (0.55) KIF11CYP2A6CYP19A1ALDH1A1CA12
SCHEMBL3397625 0.74 ESR1 (0.35) CYP2A6ALDH1A1CA2CA9
SCHEMBL915727 0.73 KCNN4 (0.41) KIF11ALDH1A1
SCHEMBL23588043 0.72 KIF11 (0.53) KIF11CYP2A6CYP19A1ALDH1A1CA12

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