SCHEMBL8536613

SCHEMBL8536613

CC1CCC(C(=O)c2ccccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
CPB1 P15086 1/20 0.49
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
AKR1C3 P42330 2/20 0.41
RECQL P46063 1/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8536616 1.00 ALDH1A1 (0.50) ALDH1A1ALOX15CPB1KMT2AKDM4E
Phthalic Acid SCHEMBL22471697 0.89 ALDH1A1 (0.64) ALDH1A1ALOX15CPB1KMT2AKDM4E
SCHEMBL5462752 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15CPB1KDM4ESMN1; SMN2
SCHEMBL5451947 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15CPB1KMT2AKDM4E
SCHEMBL3027381 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15CPB1KMT2AKDM4E
SCHEMBL3918618 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL8260835 0.79 ACHE (0.53) ALDH1A1CPB1KMT2AKDM4ESMN1; SMN2
SCHEMBL13176096 0.79 ACHE (0.53) ALDH1A1CPB1KMT2AKDM4ESMN1; SMN2
Phthalic Acid SCHEMBL23275565 0.79 ALDH1A1 (0.61) ALDH1A1ALOX15KMT2AKDM4ESMN1; SMN2
SCHEMBL8536684 0.78 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A

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-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed