SCHEMBL11097682

SCHEMBL11097682

COc1ccc(Cc2cc(O)ccc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 2/20 0.50
IGF1R P08069 1/20 0.50
ESR1 P03372 1/20 0.50
CYP19A1 P11511 1/20 0.50
ESR2 Q92731 1/20 0.50
SYK P43405 1/20 0.47
LTA4H P09960 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2580796 0.89 IGF1R (0.53) CALM1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14283892 0.85 LTA4H (0.53) CALM1ALOX15IGF1RESR1CYP19A1
SCHEMBL8430733 0.85 KEAP1 (0.59) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL2579101 0.85 AMY1A (0.54) CALM1NPC1RAB9AALOX15IGF1R
SCHEMBL7283988 0.85 CALM1 (0.50) CALM1ALDH1A1CYP3A4HPGDMEN1
SCHEMBL10820384 0.83 CALM1 (0.49) CALM1ALDH1A1CYP3A4HPGDMEN1
SCHEMBL2576239 0.83 IGF1R (0.47) CALM1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL227700 0.82 ESR1 (0.61) CALM1MEN1KMT2AALOX15IGF1R
SCHEMBL9188763 0.80 AMY1A (0.52) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL6201748 0.80 NPC1 (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP disclosed
US-4351950-A Anti-arteriosclerotic agents WARNER-LAMBERT COMPANY (US) 1982-09-28 US disclosed
EP-0032063-A2 Novel substituted arylene compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1981-07-15 EP disclosed