SCHEMBL2439425

SCHEMBL2439425

Cc1ccc(C(=O)CC(C(=O)CC(c2ccc(C)cc2)C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MITF O75030 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ PLAU P00749 1/20 0.36

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
SCHEMBL9153276 0.77 FFAR1 (0.60) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL9150014 0.76 FFAR1 (0.44) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL9155662 0.76 MEN1 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL9413683 0.70 MEN1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL9153116 0.70 SLC6A2 (0.42) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL17761209 0.69 FFAR1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL12836119 0.69 FFAR1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL8038720 0.68 SLC6A2 (0.46) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL11250713 0.66 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL8497841 0.66 MEN1 (0.46) RAB9ASMN1; SMN2CYP1A2HPGDCYP2C19

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
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 — — EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 — — WO claimed
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