SCHEMBL7879464

SCHEMBL7879464

CCCCCc1cc(C#N)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TYR P14679 3/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BID P55957 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39

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
SCHEMBL10465908 0.95 TYR (0.47) TSHRHSD17B10TYRMEN1TP53
SCHEMBL1400680 0.88 ALOX5 (0.46) TSHRHSD17B10MEN1ALOX5KMT2A
SCHEMBL7913729 0.83 BCHE (0.36) TSHRHSD17B10TYRMEN1TP53
SCHEMBL12594178 0.80 AR (0.54)
SCHEMBL10882791 0.80 TSHR (0.53) TSHRHSD17B10TYRMEN1TP53
SCHEMBL15174598 0.80 TSHR (0.53) TSHRHSD17B10TYRMEN1TP53
SCHEMBL15721486 0.80 TSHR (0.49) TSHRHSD17B10TYRMEN1TP53
SCHEMBL17679304 0.79 TSHR (0.51) TSHRHSD17B10TYRMEN1TP53
SCHEMBL6137167 0.79 TSHR (0.51) TSHRHSD17B10TYRMEN1TP53
SCHEMBL30400690 0.77 PPARA (0.50) TSHRHSD17B10BIDBCL2L1MCL1

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