SCHEMBL31199125

SCHEMBL31199125

Clc1cc[nH]c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.41
▸ LTB4R Q15722 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TYMP P19971 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DBH P09172 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
SCHEMBL28952278 0.77 CYP1A2 (0.46) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL11482476 0.75 LTB4R (0.47) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL27849224 0.75 CALM1 (0.44) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL27832719 0.75 CALM1 (0.44) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL27548252 0.75 TAAR1 (0.46) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL27340551 0.73 MAPT (0.43) CALM1TAAR1LTB4RCYP3A4CYP1A2
SCHEMBL17962654 0.73 CALM1 (0.42) CALM1TAAR1LTB4RCYP3A4ALDH1A1
SCHEMBL11450705 0.68 TRPA1 (0.43) CALM1TAAR1CYP3A4CYP1A2CYP2D6
SCHEMBL11280636 0.68 BCL2 (0.44) CALM1TAAR1CYP3A4CYP1A2CYP2D6
Diphenylmethane SCHEMBL1303 0.65 CALM1 (1.00) CALM1CYP3A4ALDH1A1HPGDALOX15

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-118909112-A Antibodies to interleukin-9 and uses thereof 广东克冠达医药科技有限公司 2024-11-08 — — CN disclosed
CN-117264053-B Antibodies to interleukin-9 and uses thereof 广东克冠达医药科技有限公司 2024-09-03 — — CN disclosed
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