SCHEMBL9304448

SCHEMBL9304448

Oc1cccc2c1CC=C[CH]2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADAMTS4 O75173 1/20 0.33
EGFR P00533 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
HPGD P15428 1/20 0.33
MMP8 P22894 1/20 0.33
CA6 P23280 1/20 0.33
CDK2 P24941 1/20 0.33
MMP12 P39900 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL276579 0.78 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL27664477 0.77 BCL2L1 (0.38) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL1923737 0.77 CYP1A2 (0.33) ALDH1A1CA1CA2TSHR
SCHEMBL4630155 0.76 CA2 (0.38) CA1CA2CA6CDK2
SCHEMBL10817023 0.75 CYP2D6 (0.36) ALDH1A1LMNACYP3A4TSHRHTR1A
SCHEMBL15351296 0.75 TRPA1 (0.34) ALDH1A1TRPA1
SCHEMBL9038110 0.72 CA12 (0.39) ALDH1A1ALOX15HSD17B10CA1CA2
SCHEMBL4776503 0.72 MAPT (0.38) ALDH1A1TDP1EGFRLMNAMAPT
SCHEMBL6694442 0.72 HTR1A (0.34) HTR1A
SCHEMBL7020118 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233078-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP disclosed
WO-2016096125-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO disclosed
US-5278273-A Additional polymer FUJI PHOTO FILM CO., LTD. (JP) 1994-01-11 US disclosed
EP-0000247-B1 WATER-ABSORBENT STARCH COPOLYMERISATES AND METHOD FOR THEIR PREPARATION. A.E. STALEY MANUFACTURING COMPANY (US) 1982-08-04 EP disclosed