SCHEMBL28630102

SCHEMBL28630102

COC(=O)c1ccc(C(C)NC(=O)c2c(C(F)(F)F)nn3c2N(Cc2ccc(F)cc2)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 16/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACACB O00763 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL21081514 1.00 PTGER4 (0.49) PTGER4ALDH1A1LMNAMEN1KMT2A
SCHEMBL18758576 0.94 PTGER4 (0.43) PTGER4ALDH1A1LMNAACACB
SCHEMBL28622506 0.94 PTGER4 (0.43) PTGER4ALDH1A1LMNAACACB
SCHEMBL18758489 0.93 PTGER4 (0.43) PTGER4ACACB
SCHEMBL28627341 0.93 PTGER4 (0.49) PTGER4
SCHEMBL18758530 0.93 PTGER4 (0.46) PTGER4ACACB
SCHEMBL18758745 0.93 PTGER4 (0.49) PTGER4
SCHEMBL18758565 0.93 PTGER4 (0.43) PTGER4ACACB
SCHEMBL28922420 0.93 PTGER4 (0.43) PTGER4ACACB
SCHEMBL18758490 0.93 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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