SCHEMBL24436801

SCHEMBL24436801

COc1cc(F)c(O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.41
TUBB1 Q9H4B7 2/20 0.41
PTGS2 P35354 1/20 0.41
HMGCR P04035 1/20 0.41
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDR P35968 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
BACE1 P56817 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL24445889 0.91 HMGCR (0.45) MAPK1LMNAHTTRAB9AMAOB
SCHEMBL11392839 0.88 HMGCR (0.52) MAPK1LMNAHTTRAB9AMAOB
SCHEMBL16173473 0.86 MAOB (0.46) MAPK1LMNAHTTRAB9AMAOB
SCHEMBL2937347 0.84 LMNA (0.46) MAPK1LMNAHTTRAB9ATUBB1
SCHEMBL1044562 0.83 MAOB (0.48) MAPK1LMNAHTTRAB9AMAOB
SCHEMBL31009334 0.80 ALOX5 (0.44) PTGS2TAAR1ALDH1A1
SCHEMBL22508001 0.80 L3MBTL1 (0.47) MAPK1LMNAHTTCYP3A4TSHR
SCHEMBL19737047 0.80 ALOX5 (0.44) PTGS2TAAR1ALDH1A1
SCHEMBL19914419 0.80 KDM4E (0.42) MAPK1LMNAHTTRAB9AMAOB
SCHEMBL983129 0.80 PTGS2 (0.44) MAPK1LMNAHTTRAB9AMAOB

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed