SCHEMBL9621484

SCHEMBL9621484

CC(=O)/C=C/C(C)CSc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ EGFR P00533 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
SCHEMBL9621487 1.00 MTNR1A (0.38) MTNR1AMTNR1BKMT2ACYP1A2MEN1
SCHEMBL15944395 0.86 HPGD (0.43) MTNR1AMTNR1BKMT2AMEN1NPC1
SCHEMBL9621494 0.84 PPARD (0.42) MTNR1AMTNR1BCYP1A2CYP2C19CTSL
SCHEMBL9621496 0.84 PPARD (0.42) MTNR1AMTNR1BCYP1A2CYP2C19CTSL
SCHEMBL9621508 0.77 KMT2A (0.39) MTNR1AMTNR1BKMT2ACYP1A2MEN1
SCHEMBL9621740 0.74 MTNR1A (0.40) MTNR1AMTNR1BHPGDMAPTLMNA
SCHEMBL9621743 0.74 MTNR1A (0.40) MTNR1AMTNR1BHPGDMAPTLMNA
SCHEMBL9621744 0.74 MTNR1A (0.40) MTNR1AMTNR1BHPGDMAPTLMNA
SCHEMBL14235011 0.72 ALDH1A1 (0.41) MTNR1AMTNR1BKMT2AMEN1NPC1
SCHEMBL8260520 0.70 MAOA (0.44) KMT2ACYP1A2MEN1CYP2C9CYP2C19

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-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 — — EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 — — US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 — — US disclosed
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