SCHEMBL7760111

SCHEMBL7760111

O=CCC=CCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TK1 P04183 1/20 0.47
ALOX5 P09917 1/20 0.44
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.42
CA1 P00915 5/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 2/20 0.41
MAPT P10636 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL7760105 1.00 TSHR (0.52) TSHRTK1ALOX5IDO1AGXT
SCHEMBL23853694 0.91 TSHR (0.47) TSHRTK1ALOX5IDO1AGXT
SCHEMBL1524101 0.88 TSHR (0.67) TSHRTK1ALOX5IDO1AGXT
SCHEMBL1524098 0.88 TSHR (0.67) TSHRTK1ALOX5IDO1AGXT
SCHEMBL1524411 0.88 TSHR (0.67) TSHRTK1ALOX5IDO1AGXT
Ammonia Solution, Strong SCHEMBL7095980 0.86 TSHR (0.64) TSHRTK1ALOX5IDO1AGXT
SCHEMBL30425720 0.84 TSHR (0.61) TSHRTK1ALOX5IDO1AGXT
SCHEMBL76044 0.84 TSHR (0.61) TSHRTK1ALOX5IDO1AGXT
SCHEMBL22160794 0.82 TSHR (0.58) TSHRTK1ALOX5IDO1AGXT
SCHEMBL7266237 0.81 TSHR (0.52) TSHRTK1ALOX5IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-1090908-A2 Cyclobutane derivatives as inhibitors of protein farnesyltransferase ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US disclosed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP disclosed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed