SCHEMBL22499343

SCHEMBL22499343

ClCCC(CCl)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.39
SLC18A2 Q05940 1/20 0.38
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
TRPA1 O75762 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL29283276 0.84 EPHX1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3883482 0.78 EPHX1 (0.43) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL28573244 0.78 TRPA1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11821207 0.78 TRPA1 (0.47) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL353629 0.78 EPHX1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6680636 0.76 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4981467 0.75 EPHX1 (0.60) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL2144182 0.75 EPHX1 (0.40) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4072153 0.74 SIGMAR1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL15638343 0.74 EPHX1 (0.67) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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
EP-3947367-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS Array Biopharma, Inc. (US) 2022-02-09 EP disclosed
WO-2020201991-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 WO disclosed