SCHEMBL9859724

SCHEMBL9859724

OCCC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TTR P02766 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KCNA5 P22460 5/20 0.40
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ HTT P42858 3/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL1152521 0.92 ALDH1A1 (0.42) MEN1KMT2ATTRTRPA1POLB
SCHEMBL10817073 0.92 ALDH1A1 (0.42) MEN1KMT2ATTRTRPA1POLB
SCHEMBL9859677 0.89 MEN1 (0.41) MEN1KMT2ATTRTRPA1POLB
SCHEMBL1151604 0.88 ESR1 (0.42) MEN1KMT2ATTRTRPA1POLB
SCHEMBL9860176 0.87 MEN1 (0.46) MEN1KMT2APOLBHTT
SCHEMBL28363185 0.85 TRPA1 (0.42) MEN1KMT2ATTRTRPA1CYP2C19
SCHEMBL9859794 0.84 LTA4H (0.48) MEN1KMT2APOLBCYP2C19LMNA
SCHEMBL10920815 0.82 ALDH1A1 (0.44) MEN1KMT2ATTRTRPA1POLB
SCHEMBL25016013 0.80 TRPA1 (0.48) TRPA1LMNACNR1CNR2HTT
SCHEMBL25015588 0.80 TRPA1 (0.48) TRPA1LMNACNR1CNR2HTT

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
US-4996225-A Antitumor agents FARMOS GROUP LTD. (FI) 1991-02-26 — — US disclosed
US-4696949-A ANTITUMOR AGENTS, ANTIESTROGENS FARMOS GROUP LTD. (FI) 1987-09-29 — — US disclosed
EP-0095875-B1 NOVEL TRI-PHENYL ALKANE AND ALKENE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-09-10 — — EP disclosed
EP-0095875-A2 Novel tri-phenyl alkane and alkene derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-12-07 — — EP disclosed
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