SCHEMBL31364597

SCHEMBL31364597

CC[C@H](C)Cc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
CYP19A1 P11511 4/20 0.40
ADRA2C P18825 1/20 0.40
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
KCNA5 P22460 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
DPP4 P27487 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL10590479 1.00 PTGDR2 (0.40) PTGDR2CYP19A1ADRA2CFNTAFNTB
SCHEMBL10590473 0.82 CYP11B2 (0.39) PTGDR2ADRA2CKMT2ACYP11B2
SCHEMBL11420211 0.82 PTGDR2 (0.40) PTGDR2CYP19A1FNTAFNTBPGGT1B
SCHEMBL4664566 0.82 EGLN2 (0.49) PTGDR2CYP19A1ADRA2CKCNA5MEN1
SCHEMBL30477373 0.79 ADRA2C (0.47) PTGDR2CYP19A1ADRA2CFNTAFNTB
SCHEMBL21172507 0.77 CYP2A6 (0.36) EGLN2ALDH1A1
SCHEMBL27751348 0.77 PTGDR2 (0.50) PTGDR2CYP19A1ADRA2CKCNA5MEN1
SCHEMBL28273598 0.77 ADRA2C (0.44) PTGDR2CYP19A1ADRA2CKCNA5MEN1
SCHEMBL10601749 0.76 KMT2A (0.55) KCNA5KMT2ACYP11B1CYP11B2DPP4
SCHEMBL7051144 0.75 CD274 (0.45) ALDH1A1KDM4ESQOR

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
CN-119654591-A Optical dimming device with chiral ferroelectric nematic liquid crystal 元平台技术有限公司 2025-03-18 CN disclosed