SCHEMBL28622506

SCHEMBL28622506

CCc1ccc(CN2CCn3nc(C(F)(F)F)c(C(=O)NC(C)c4ccc(C(=O)OC)cc4)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 15/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ACACB O00763 1/20 0.40

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
SCHEMBL18758576 1.00 PTGER4 (0.43) PTGER4ALDH1A1LMNAACACB
SCHEMBL28630102 0.94 PTGER4 (0.49) PTGER4ALDH1A1LMNAACACB
SCHEMBL28627341 0.94 PTGER4 (0.49) PTGER4
SCHEMBL18758530 0.94 PTGER4 (0.46) PTGER4ACACB
SCHEMBL28922420 0.94 PTGER4 (0.43) PTGER4ACACB
SCHEMBL18758745 0.94 PTGER4 (0.49) PTGER4
SCHEMBL18758489 0.94 PTGER4 (0.43) PTGER4ACACB
SCHEMBL18758565 0.94 PTGER4 (0.43) PTGER4ACACB
SCHEMBL21081514 0.94 PTGER4 (0.49) PTGER4ALDH1A1LMNAACACB
SCHEMBL18758490 0.94 PTGER4 (0.43) PTGER4ACACB

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
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
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