SCHEMBL11599173

SCHEMBL11599173

CCC(C)Cc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
F2 P00734 1/20 0.47
CTSL P07711 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MGLL Q99685 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
CYP2A6 P11509 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11502430 1.00 RAB9A (0.49) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL21096319 0.96 TP53 (0.47) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL26601876 0.96 TP53 (0.47) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL20594637 0.96 TP53 (0.47) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL25907978 0.96 TP53 (0.47) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL8955714 0.96 TP53 (0.47) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL16848645 0.92 MAPT (0.46) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL16841015 0.92 MAPT (0.46) RAB9AF2CTSLMAPTALDH1A1
SCHEMBL16603409 0.91 RAB9A (0.56) RAB9AMAPTALDH1A1MAOBLMNA
SCHEMBL15583679 0.90 HDAC1 (0.47) RAB9AMAPTALDH1A1LMNATP53

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
US-4082428-A AROMATIC ESTERS SUNCRUX INCORPORATED (US) 1978-04-04 US disclosed