SCHEMBL31670269

SCHEMBL31670269

Cc1nc2cccc(O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c2c(N)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CYP19A1 P11511 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SERPINE1 P05121 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL19901701 1.00 ALDH1A1 (0.43) ALDH1A1HPGDLMNACYP19A1SCN9A
SCHEMBL626788 1.00 ALDH1A1 (0.43) ALDH1A1HPGDLMNACYP19A1SCN9A
SCHEMBL620356 0.89 ALDH1A1 (0.43) ALDH1A1HPGDLMNACYP19A1SCN9A
SCHEMBL21281397 0.87 HSD17B10 (0.36) ALDH1A1HPGDMEN1KMT2A
SCHEMBL24444287 0.84 P2RX4 (0.42) P2RX4SERPINE1
SCHEMBL17878859 0.84 P2RX4 (0.42) P2RX4SERPINE1
SCHEMBL2511151 0.83 ALDH1A1 (0.39) ALDH1A1HPGDLMNACYP19A1MEN1
SCHEMBL20857176 0.82 SMYD3 (0.34) ALDH1A1HPGDLMNA
SCHEMBL21281167 0.82 MCHR1 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL17730198 0.82 MCHR1 (0.46) MEN1KMT2ASMN1; 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
EP-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 — — EP disclosed
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