SCHEMBL9777984

SCHEMBL9777984

COC(=O)CCc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ F2RL1 P55085 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL9777981 0.86 CYP4F2 (0.46) MAPTLMNANPC1RAB9ACYP4F2
SCHEMBL9778026 0.76 ADRB2 (0.47) ADRB2ADRB1NPC1CYP4F2CYP4A11
SCHEMBL7296789 0.75 ITGB3 (0.50) —
SCHEMBL22922181 0.75 CYP4F2 (0.59) MAPTLMNAEPHX2ADRB2ADRB1
SCHEMBL168856 0.75 GSK3B (0.54) MAPTLMNAL3MBTL1ADRB2ADRB1
SCHEMBL9294508 0.75 THRA (0.55) MAPTLMNAL3MBTL1ADRB2ADRB1
SCHEMBL23410286 0.75 PLOD2 (0.61) MAPTLMNANPC1RAB9A
SCHEMBL9777993 0.75 NPC1 (0.46) MAPTLMNAL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL9269810 0.74 ITGB3 (0.49) —
SCHEMBL9264988 0.74 EPHX2 (0.49) MAPTEPHX2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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