SCHEMBL9768224

SCHEMBL9768224

Clc1ccc(CC2(C3(COc4ccc(Cl)cc4)CO3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.37
APP P05067 1/20 0.37
MAOA P21397 1/20 0.36
ATF4 P18848 2/20 0.35
LTA4H P09960 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR4A2 P43354 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CPT1A P50416 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10362200 0.80 ATF4 (0.40) MAOBAPPATF4ABCB11LMNA
SCHEMBL9577964 0.71 ABCB11 (0.36) MAOBMAOAATF4SMN1; SMN2ABCB11
SCHEMBL8937982 0.68 GRIN2D (0.33) MAOBMAOASMN1; SMN2LMNAMAPK1
SCHEMBL10507416 0.68 MAOB (0.38) MAOBAPPATF4HSD17B10ABCB11
SCHEMBL9768362 0.68 ABCB11 (0.56) MAOBATF4SMN1; SMN2ABCB11LMNA
SCHEMBL5944957 0.67 MAOB (0.40) MAOBAPPATF4LTA4HABCB11
SCHEMBL10516275 0.67 ATF4 (0.45) MAOBAPPATF4LTA4HPOLB
SCHEMBL11738646 0.66 NPSR1 (0.40) MAOBMAOAATF4LTA4HABCB11
SCHEMBL9783484 0.66 MAPT (0.39) MAOBAPPMAOAATF4ABCB11
SCHEMBL1823276 0.65 ATF4 (0.44) MAOBAPPATF4

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
US-4988383-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0384246-A2 Cyclopropyl-hydroxyethyl-azolyl derivatives BAYER AG (DE) 1990-08-29 EP disclosed