SCHEMBL18323555

SCHEMBL18323555

Cc1cc(C(=O)C(C)(C)O)cc(C)c1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 4/20 0.45
▸ ELANE P08246 1/20 0.45
▸ MCL1 Q07820 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTPRB P23467 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL15649221 0.81 THRA (0.40) HSD17B10KMT2ATHRATHRBKDM4E
SCHEMBL11332162 0.80 HSD17B10 (0.46) CD69ELANEMCL1SMN1; SMN2HPGD
SCHEMBL20543418 0.78 KDM4E (0.36) SMN1; SMN2HPGDHSD17B10THRATHRB
SCHEMBL18323067 0.77 THRA (0.32) THRATHRB
SCHEMBL2059355 0.77 CSNK2A2 (0.49) CD69ELANEMCL1HPGDPTPRB
SCHEMBL2058911 0.75 THRA (0.47) CD69ELANEMCL1HPGDPTPRB
SCHEMBL11314670 0.74 CD69 (0.45) CD69ELANEMCL1SMN1; SMN2HPGD
SCHEMBL3201351 0.74 KMT2A (0.55) CD69ELANEMCL1SMN1; SMN2HPGD
SCHEMBL8240454 0.74 MCL1 (0.45) CD69ELANEMCL1HPGDPTPRB
SCHEMBL11570516 0.74 KDM4E (0.55) MCL1HPGDKMT2APTGDR2KDM4E

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
US-9523010-B2 Ink composition for inkjet printing, ink set, and image forming method FUJIFILM CORPORATION (JP) 2016-12-20 — — US disclosed
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