SCHEMBL7937670

SCHEMBL7937670

CCC(CC#N)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.43
POLB P06746 1/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
MC4R P32245 1/20 0.36
TP53 P04637 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35

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
SCHEMBL8100431 0.82 TP53 (0.46) POLBTSHRSIGMAR1TP53ANPEP
SCHEMBL9426583 0.82 TP53 (0.46) POLBTSHRSIGMAR1TP53ANPEP
SCHEMBL5531770 0.82 CTSC (0.40) CTSCPOLBTSHRANPEPERAP1
SCHEMBL11271444 0.79 PPARG (0.43) SIGMAR1
SCHEMBL112302 0.78 POLB (0.45) CTSCPOLBMAOBTSHR
SCHEMBL9734639 0.77 SIGMAR1 (0.47) POLBTSHRSIGMAR1TP53ANPEP
SCHEMBL18685979 0.76 TDP1 (0.52) CTSCTSHRANPEPERAP1
SCHEMBL9466936 0.76 HTR2A (0.46) CTSCANPEPERAP1
SCHEMBL20553745 0.76 HTR2A (0.46) CTSCANPEPERAP1
SCHEMBL1678858 0.76 TSHR (0.43) CTSCPOLBTSHRANPEPERAP1

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-6310033-B1 2,4-DIMETHYL-5-PHENYLPENTANAL; PERFUMES BUSH BOAKE ALLEN INC. 2001-10-30 US disclosed