SCHEMBL11800787

SCHEMBL11800787

CC(CCCl)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)CCCl)ccc1O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ HTR1B P28222 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ DBH P09172 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL11869257 0.81 PTGS2 (0.36) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL19253135 0.81 KDM4E (0.49) ABCC4PTGS1RAB9AMAPTNPC1
SCHEMBL11800382 0.80 CHRM2 (0.45) MAPTHPGDALDH1A1KDM4E
SCHEMBL17559555 0.78 KDM4E (0.44) ABCC4PTGS1RAB9AMAPTNPC1
SCHEMBL6836837 0.76 CTNNB1 (0.43) HPGDALDH1A1
SCHEMBL11797647 0.76 HPGD (0.41) TAS1R3TAS1R1HPGDALDH1A1KDM4E
SCHEMBL11677033 0.76 MAPT (0.42) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL11553445 0.75 TTR (0.39) RAB9ANPC1HTR1BHPGDALDH1A1
SCHEMBL11750545 0.74 ALDH1A1 (0.49) MAPTHPGDALDH1A1KDM4E
SCHEMBL11733551 0.74 CTNNB1 (0.42) RAB9AMAPTNPC1HPGDTDP1

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-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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