SCHEMBL8992391

SCHEMBL8992391

CCCCCCCOc1ccc(C(C)=O)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 1/20 0.56
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PTPN11 Q06124 1/20 0.51
THRA P10827 4/20 0.51
THRB P10828 4/20 0.51
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL9720060 1.00 MAOB (0.58) MAOBMAOARARARARBTP53
SCHEMBL18758109 0.95 MAOB (0.62) MAOBMAOARARARARB
SCHEMBL7814595 0.88 RARB (0.66) RARARARBTP53TSHRPTPN11
SCHEMBL7824715 0.88 RARB (0.66) RARARARBTP53TSHRPTPN11
SCHEMBL7821266 0.88 RARB (0.66) RARARARBTP53TSHRPTPN11
SCHEMBL1583118 0.88 RARB (0.66) RARARARBTP53TSHRPTPN11
SCHEMBL9626748 0.88 RARB (0.66) RARARARBTP53TSHRPTPN11
SCHEMBL9650203 0.87 THRA (0.52) RARARARBTP53TSHRPTPN11
SCHEMBL8760010 0.87 MAOB (0.57) MAOBMAOA
SCHEMBL9626898 0.87 THRA (0.52) RARARARBTP53TSHRPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433826-B1 Fluorophenylpyridines HOECHST AG (DE) 1996-07-10 EP disclosed
US-5204476-A For use in chiral tilted smectic liquid crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0433826-A2 Fluorophenylpyridines HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-26 EP disclosed