SCHEMBL27763796

SCHEMBL27763796

CCN(CCC(=O)O)c1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ CSF3R Q99062 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CFD P00746 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GFER P55789 1/20 0.38

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
SCHEMBL16617204 0.82 ALDH1A1 (0.44) THRATHRBALDH1A1CYP3A4TSHR
SCHEMBL27964845 0.82 MTNR1B (0.54) GFERMEN1GAAMAPTHTT
SCHEMBL28084794 0.82 ALDH1A1 (0.46) THRBLOXL2ALDH1A1CYP3A4TSHR
SCHEMBL27661141 0.82 ALDH1A1 (0.44) LOXL2ALDH1A1CYP3A4TSHRAOC3
SCHEMBL3510031 0.81 ALDH1A1 (0.55) THRATHRBLOXL2ALDH1A1CYP3A4
SCHEMBL397442 0.81 GFER (0.54) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL8018555 0.80 KMT2A (0.54) ALDH1A1TSHRLMNAGFERMEN1
SCHEMBL11793328 0.79 MAPT (0.50) THRATHRBALDH1A1CYP3A4LMNA
Hydrochloric Acid SCHEMBL11594933 0.79 GFER (0.53) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL3679227 0.79 THRA (0.67) THRATHRBALDH1A1CYP3A4CRHBP

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
CN-101528856-B Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO 2013-07-03 — — CN disclosed
CN-101528856-A Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-09-09 — — CN disclosed
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