SCHEMBL24016937

SCHEMBL24016937

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(N3CCCC3C)c2)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL21163615 0.88 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL14959029 0.88 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL25133835 0.88 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12176304 0.85 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13060132 0.85 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL20879814 0.84 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL20879776 0.83 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL20879841 0.83 HSD17B10 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12176252 0.83 HSD17B10 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL14959096 0.83 HSD17B10 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9

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-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
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