SCHEMBL21707533

SCHEMBL21707533

C=C(CCc1cccc(C)c1)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ DAO P14920 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ NR3C2 P08235 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL1107169 0.80 TAAR1 (0.55) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL16429377 0.80 ALDH1A1 (0.50) TAAR1HDAC1HDAC2HDAC8HDAC6
SCHEMBL14724832 0.79 MEN1 (0.53) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL24409529 0.79 HPGD (0.36) HDAC1FFAR4CNR1HPGD
SCHEMBL12802159 0.76 TAAR1 (0.50) TAAR1HDAC3HDAC1HDAC2HDAC10
Dimethylamine SCHEMBL9871069 0.76 FFAR4 (0.62) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL1921167 0.75 CTBP2 (0.50) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL29596752 0.74 TAAR1 (0.74) TAAR1HRH3DAOIDO1NR3C2
SCHEMBL8096473 0.74 TAAR1 (0.74) TAAR1HRH3DAOIDO1NR3C2
SCHEMBL20906984 0.74 RAB9A (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11

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
WO-2020033521-A1 CROSS-LINKED RADIOPAQUE BIORESORBABLE POLYMERS AND DEVICES MADE THEREFROM REVA MEDICAL, INC. (US) 2020-02-13 — — WO disclosed
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