SCHEMBL6839010

SCHEMBL6839010

C=C(CCC)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 6/20 0.42
POLB P06746 1/20 0.42
CFTR P13569 1/20 0.41
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 4/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL7918288 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL10644627 0.85 TP53 (0.39) ALDH1A1KDM4ETSHRGAAHPGD
SCHEMBL24385024 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL27043447 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL9627138 0.78 SMN1; SMN2 (0.46) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL7197694 0.78 MAOA (0.55) TSHRHPGDMAOAMAOBCYP2C19
SCHEMBL23370298 0.77 MAPT (0.44) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL7790948 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL14385103 0.76 SMN1; SMN2 (0.45) ALDH1A1POLBHPGDCYP1A2SMN1; SMN2
SCHEMBL4230481 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EPOLBCFTR

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
US-20040044157-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-04 US claimed
WO-2023067203-A2 FOOD ADDITIVES NATIONAL UNIVERSITY OF IRELAND, MAYNOOTH (IE) 2023-04-27 WO disclosed
EP-3604346-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES Procter & Gamble International Operations SA (CH) 2020-02-05 EP disclosed