SCHEMBL9802295

SCHEMBL9802295

OC=CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TAAR1 Q96RJ0 1/20 0.51
ACP3 P15309 1/20 0.51
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
MIF P14174 2/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
GRIN2B Q13224 1/20 0.44
EPHX1 P07099 1/20 0.44
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL27628915 1.00 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL1048398 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL1048397 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL10263844 0.82 IDO1 (0.59) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL29624531 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL28743537 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL28743534 0.82 IDO1 (0.54) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL8347342 0.81 ACP3 (0.50) IDO1TAAR1ACP3HTR2AHTR2B
SCHEMBL5120041 0.80 ALDH1A1 (0.51) IDO1TAAR1ACP3MEN1KMT2A
SCHEMBL5120039 0.80 ALDH1A1 (0.51) IDO1TAAR1ACP3MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848441-B N-substituted benzoyl hydrazone compound and preparation method and application thereof 山东中新科农生物科技有限公司 2023-02-17 CN claimed
CN-111848441-A N-substituted benzoyl hydrazone compound and preparation method and application thereof 朱翠萍 2020-10-30 CN claimed
CN-111848441-B N-substituted benzoyl hydrazone compound and preparation method and application thereof 山东中新科农生物科技有限公司 2023-02-17 CN disclosed
CN-111848441-A N-substituted benzoyl hydrazone compound and preparation method and application thereof 朱翠萍 2020-10-30 CN disclosed
CN-106748695-B Preparation method of m-trifluoromethyl cinnamaldehyde 常州市阳光药业有限公司 2020-09-22 CN disclosed
CN-105439818-A Synthesis method of cinacalcet intermediate 3-(3-trifluoromethylphenyl) propanol SUZHOU HUIHE PHARM CO LTD 2016-03-30 CN disclosed
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed