SCHEMBL22928989

SCHEMBL22928989

COCc1ccc(CNC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
BCHE P06276 1/20 0.41
ACACB O00763 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.39
CASR P41180 1/20 0.39
CCR5 P51681 1/20 0.39
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PARP1 P09874 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3271284 0.84 SIGMAR1 (0.48) SLC2A1CASRLTA4HSIGMAR1ALDH1A1
SCHEMBL24431445 0.82 ADRB2 (0.41) SLC2A1BCHEIDO1CASRCCR5
SCHEMBL10428559 0.80 SLC2A1 (0.47) SLC2A1CASRCCR5ALDH1A1PARP1
SCHEMBL278630 0.79 CASR (0.58) L3MBTL1IDO1CASRALDH1A1SMN1; SMN2
SCHEMBL9781281 0.78 SLC6A2 (0.48) L3MBTL1SIGMAR1ALDH1A1CYP2D6
SCHEMBL21117774 0.78 TSHR (0.49) ACACBL3MBTL1
SCHEMBL13164692 0.78 ALDH1A1 (0.49) SLC2A1LTA4HSIGMAR1ALDH1A1PARP1
Hydrochloric Acid SCHEMBL14343449 0.78 CASR (0.57) L3MBTL1IDO1CASRALDH1A1SMN1; SMN2
SCHEMBL10428577 0.77 BCHE (0.47) BCHEL3MBTL1CASRCYP2D6
SCHEMBL134443 0.76 IDO1 (0.46) ACACBIDO1

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-3770180-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND Mochida Pharmaceutical Co., Ltd. (JP) 2021-01-27 EP disclosed