SCHEMBL30228013

SCHEMBL30228013

Cc1ccccc1-c1cc(=O)oc2cc(C(=O)NC3CCCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL30228284 0.83 KCNA3 (0.52) ALDH1A1RAB9ANPC1KCNA3HPGD
SCHEMBL30227982 0.81 KCNA3 (0.55) ALDH1A1KCNA3HPGDSMN1; SMN2
SCHEMBL30228356 0.80 PLA2G7 (0.46) ALDH1A1KCNA3TP53HPGDCYP2C19
SCHEMBL30228398 0.80 NPC1 (0.51) MAPK14ALDH1A1RAB9ANPC1KCNA3
SCHEMBL30228193 0.79 PLA2G7 (0.45) ALDH1A1KCNA3HPGDCYP2C19
SCHEMBL30228438 0.79 KCNA3 (0.59) ALDH1A1RAB9ANPC1KCNA3TP53
SCHEMBL30228546 0.76 KCNA3 (0.52) ALDH1A1KCNA3TP53HPGD
SCHEMBL30228032 0.76 PLA2G7 (0.62) MAPK14ALDH1A1RAB9ANPC1KCNA3
SCHEMBL20839382 0.76 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDCYP2C19SMN1; SMN2
SCHEMBL30228103 0.74 KCNA3 (0.48) ALDH1A1KCNA3HPGDCYP2C19

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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