SCHEMBL14995986

SCHEMBL14995986

CCCc1cc2c(CC)c(O)c(O)cc2c(O)c1-c1c(CCC)cc2c(CC)c(O)c(O)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 6/20 0.46
BCL2 P10415 4/20 0.46
MCL1 Q07820 4/20 0.46
BCL2A1 Q16548 2/20 0.46
HMGCR P04035 1/20 0.35
ALOX5 P09917 4/20 0.33
BACE1 P56817 1/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
PRKCI P41743 1/20 0.33
BCL2L2 Q92843 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
PRKCE Q02156 2/20 0.33
MYLK Q15746 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 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
SCHEMBL14995997 0.92 BCL2L1 (0.50) BCL2L1BCL2MCL1BCL2A1HMGCR
SCHEMBL14995995 0.90 BCL2L1 (0.43) BCL2L1BCL2MCL1BCL2A1ALOX5
SCHEMBL13018818 0.88 BCL2L1 (0.55) BCL2L1BCL2MCL1BCL2A1BACE1
SCHEMBL14995987 0.87 BCL2L1 (0.51) BCL2L1BCL2MCL1BCL2A1ALOX5
SCHEMBL14995998 0.84 BCL2L1 (0.47) BCL2L1BCL2MCL1BCL2A1ALOX5
SCHEMBL14995966 0.81 BCL2L1 (0.42) BCL2L1BCL2MCL1BCL2A1HMGCR
SCHEMBL2622283 0.77 BCL2L1 (0.60) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL14995965 0.75 BCL2L1 (0.66) BCL2L1BCL2MCL1BCL2A1LDHA
SCHEMBL25445475 0.74 PRKCE (0.55) HMGCRALOX5PRKCIPTPN1PTPN11
SCHEMBL14995975 0.73 HSPA5 (0.40) BCL2L1BCL2MCL1BCL2A1BCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed