SCHEMBL15714770

SCHEMBL15714770

CC(=O)c1cc(C)n(C2CCC(C(=O)O)CC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL17468793 0.91 NOTUM (0.74) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL1714277 0.80 NOTUM (1.00) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL23524488 0.78 NOTUM (0.53) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL23292726 0.78 NOTUM (0.53) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL23524479 0.78 NOTUM (0.53) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL23559490 0.75 NOTUM (0.47) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL15997850 0.73 NOTUM (0.84) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL23559411 0.71 NOTUM (0.42) NOTUMNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL14886588 0.71 NOTUM (0.79) NOTUMNPC1RAB9AALDH1A1MEN1
SCHEMBL15714773 0.70 POLB (0.45) NOTUMALDH1A1MEN1KMT2AKDM4E

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
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 WO disclosed