SCHEMBL20879776

SCHEMBL20879776

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C3CC3)c2)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL18609476 0.88 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL14959038 0.88 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL20879814 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18532609 0.85 TRPM8 (0.44) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18790113 0.85 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL24016940 0.84 UBE2M (0.52) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL18532607 0.84 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13060052 0.83 CYP1A2 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12176605 0.83 CYP1A2 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL24016937 0.83 ALDH1A1 (0.43) 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-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
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