SCHEMBL10890654

SCHEMBL10890654

CCC(O)(c1ccc(O)cc1)c1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.46
▸ ESR2 Q92731 10/20 0.46
▸ AR P10275 4/20 0.40
▸ ACHE P22303 1/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL10889760 0.85 MEN1 (0.43) ALDH1A1CYP3A4LMNA
SCHEMBL10356410 0.81 ESR1 (0.37) ESR1ESR2ARACHECNR1
SCHEMBL10786833 0.79 MAOB (0.44) ESR1ARLMNASLC6A2SLC6A3
SCHEMBL19843843 0.76 ESR1 (0.62) ESR1ESR2ARACHETSHR
SCHEMBL10877318 0.75 EBP (0.57) ESR1ARACHESLC6A2SLC6A4
SCHEMBL10797608 0.73 ESR1 (0.43) ESR1ESR2ACHE
SCHEMBL28447541 0.72 MEN1 (0.43) ALDH1A1CYP3A4LMNA
SCHEMBL10364768 0.70 SMN1; SMN2 (0.41) ESR1ESR2ARALDH1A1GAA
SCHEMBL10598204 0.70 ESR1 (0.57) ESR1ESR2ARTSHRALDH1A1
SCHEMBL10784573 0.69 ESR1 (0.44) ESR1ESR2ARALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593047-A Alcoholism RICHTER GEDEON VEGYESZETI CYAR RT (HU) 1986-06-03 — — US disclosed
US-4593047-A Alcoholism RICHTER GEDEON VEGYESZETI CYAR RT (HU) 1986-06-03 — — US disclosed
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