SCHEMBL25769933

SCHEMBL25769933

C=C/C(=C\C=C/CC)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.47
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ DDAH1 O94760 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL24158449 0.86 TGM2 (0.43) TGM2MAPTALDH1A1
SCHEMBL26433462 0.77 TGM2 (0.53) TGM2POLBTDP1MAPTNPC1
SCHEMBL19383721 0.70 TRPA1 (0.32) —
SCHEMBL26080318 0.68 TGM2 (0.35) TGM2
SCHEMBL15292671 0.67 TGM2 (0.47) TGM2POLBMAPTALDH1A1NPC1
SCHEMBL20008068 0.67 TGM2 (0.47) TGM2POLBMAPTALDH1A1NPC1
SCHEMBL20912080 0.66 TGM2 (0.47) TGM2POLBTDP1MAPTALDH1A1
SCHEMBL13626039 0.66 MAPT (0.45) TGM2POLBTDP1MAPTALDH1A1
SCHEMBL648950 0.65 TGM2 (1.00) TGM2POLBTDP1ALDH1A1NPC1
SCHEMBL22959433 0.65 — —

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
EP-4206184-A1 PHENOL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-07-05 — — EP disclosed
Send feedback