SCHEMBL24557151

SCHEMBL24557151

C=C(CC)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
ESR2 Q92731 1/20 0.47
ALOX5 P09917 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MAOB P27338 2/20 0.46
SLC6A7 Q99884 1/20 0.44
GRM5 P41594 1/20 0.44
PGR P06401 4/20 0.42
FFAR1 O14842 1/20 0.41
BCL2 P10415 1/20 0.41
DCLRE1B Q9H816 1/20 0.40
PLAU P00749 1/20 0.40
RORC P51449 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
SCHEMBL2015776 0.80 MAOA (0.48) MAOB
SCHEMBL2015853 0.76 MAOA (0.55) MAOB
SCHEMBL31491189 0.75 TAAR1 (0.71) TAAR1ESR2ALOX5MAOBPGR
SCHEMBL16394285 0.75 TAAR1 (0.71) TAAR1ESR2ALOX5MAOBPGR
SCHEMBL10799811 0.74 SMN1; SMN2 (0.62) TAAR1ESR2ALOX5MMP2MMP9
SCHEMBL20669453 0.73 TAAR1 (0.68) TAAR1ESR2ALOX5MAOBPGR
SCHEMBL7759940 0.73 TRPV1 (0.61) ESR2ALOX5MMP2MMP9MMP8
SCHEMBL10631530 0.73 ALOX5 (0.55) TAAR1ESR2ALOX5MMP2MMP9
SCHEMBL2263489 0.73 NR1I2 (0.42) ESR2MAOBPGR
SCHEMBL1623905 0.73 TAAR1 (0.69) TAAR1ESR2ALOX5MAOBPGR

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
EP-4019503-A2 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME Changchun Hyperions Technology Co., Ltd. (CN) 2022-06-29 EP disclosed