SCHEMBL24296342

SCHEMBL24296342

CCC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.43
KLK7 P49862 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL21367669 0.93 HPGD (0.59) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL22002689 0.88 CA1 (0.62) NPC1RAB9ACA1CA2CA7
SCHEMBL5023024 0.88 HPGD (0.65) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL18804818 0.87 HPGD (0.56) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL21367667 0.83 RAB9A (0.55) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL20718615 0.81 HPGD (0.56) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL4238001 0.81 RAB9A (0.56) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL24296447 0.79 CA1 (0.52) RAB9ACA1CA2CA7CA14
SCHEMBL15143918 0.78 SMN1; SMN2 (0.79) HPGDNPC1RAB9ACYP1A2CYP2D6
SCHEMBL14349998 0.78 HPGD (0.59) HPGDNPC1RAB9ACYP1A2CYP2D6

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-20220119580-A1 POLYURETHANE/UREA MATERIALS FOLDAX, INC. 2022-04-21 US disclosed