SCHEMBL21389337

SCHEMBL21389337

CC1(C)[C@@H]2C(=O)N(CCNC(=O)CSCC(=O)NCC3CCC3)C(=O)[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL24796300 0.87 CYP1A2 (0.40) CYP1A2CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24796662 0.86 HPGD (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL24795943 0.85 ALDH1A1 (0.39) CYP1A2CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21389343 0.84 ALDH1A1 (0.41) CYP1A2CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24796298 0.84 CYP1A2 (0.38) CYP1A2CYP3A4ALDH1A1KMT2ARAB9A
SCHEMBL24796661 0.84 HPGD (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL21389177 0.83 GAA (0.36) ALDH1A1SMN1; SMN2L3MBTL1KDM4EPOLB
SCHEMBL24796162 0.82 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1KMT2ARAB9A
SCHEMBL21389478 0.82 HTT (0.44) CYP1A2CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24796397 0.81 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1KMT2ASMN1; SMN2

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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