SCHEMBL670842

SCHEMBL670842

CC(=O)CO.O=CCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ MAOB P27338 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ EPHX1 P07099 2/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ FFAR4 Q5NUL3 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
SCHEMBL66607 0.88 TAAR1 (0.61) TAAR1HDAC1HDAC8MEN1KMT2A
Formaldehyde SCHEMBL28263667 0.85 TAAR1 (0.57) TAAR1HDAC1HDAC8MEN1KMT2A
SCHEMBL18003547 0.80 MAOB (0.50) TAAR1MAOBHDAC1HDAC8ACP3
SCHEMBL1509 0.79 TAAR1 (0.57) TAAR1MAOBHDAC1HDAC8MEN1
SCHEMBL7870943 0.79 TAAR1 (0.57) TAAR1HDAC1HDAC8ACP3MAPT
SCHEMBL9689196 0.79 TAAR1 (0.50) TAAR1MAOBHDAC1HDAC8MEN1
SCHEMBL9689194 0.79 TAAR1 (0.50) TAAR1MAOBHDAC1HDAC8MEN1
SCHEMBL19399695 0.78 TAAR1 (0.56) TAAR1HDAC1HDAC8ACP3MAPT
Styrene SCHEMBL28262481 0.77 TAAR1 (0.46) TAAR1MAOBMEN1KMT2AKDM4E
SCHEMBL21177003 0.77 CYP1A2 (0.37) TAAR1HDAC1HDAC8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044657-A1 BIOCATALYSTS AND METHODS THEREOF TESARO, INC. (US) 2024-02-29 — — WO disclosed
EP-2935572-A1 ENGINEERED BIOCATALYSTS AND METHODS FOR SYNTHESIZING CHIRAL AMINES Codexis, Inc. (US) 2015-10-28 — — EP disclosed
EP-2828385-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS Codexis, Inc. (US) 2015-01-28 — — EP disclosed
WO-2014099730-A1 ENGINEERED BIOCATALYSTS AND METHODS FOR SYNTHESIZING CHIRAL AMINES CODEXIS, INC. (US) 2014-06-26 — — WO disclosed
WO-2013142770-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS, INC. (US) 2013-09-26 — — WO disclosed
EP-2606139-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE Codexis, Inc. (US) 2013-06-26 — — EP disclosed
WO-2012024104-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE CODEXIS, INC. (US) 2012-02-23 — — WO disclosed
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