SCHEMBL9277735

SCHEMBL9277735

CC(C)Oc1cc(OC(C)C)cc(N(c2ccc(-c3ccc(N(c4cc(OC(C)C)cc(OC(C)C)c4)c4cc(OC(C)C)cc(OC(C)C)c4)cc3)cc2)c2cc(OC(C)C)cc(OC(C)C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ MCL1 Q07820 2/20 0.36
▸ PTPN5 P54829 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ FDPS P14324 2/20 0.32

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
SCHEMBL9280337 0.93 RXRA (0.42) RXRARXRBMCL1PTPN5ALDH1A1
SCHEMBL9165801 0.87 ALDH1A1 (0.41) RXRARXRBMCL1ALDH1A1TP53
SCHEMBL25234306 0.74 ALDH1A3 (0.71) MCL1PTPN5ALDH1A1ERN1TP53
SCHEMBL8370932 0.73 ALDH1A1 (0.44) RXRARXRBALDH1A1ALDH1A3KDM4E
SCHEMBL10047611 0.72 KMT2A (0.47) MCL1ALDH1A1TP53MAPTALDH1A3
SCHEMBL10047613 0.72 MAPT (0.45) MCL1ALDH1A1FFAR4TP53MAPT
SCHEMBL9163960 0.72 ABL1 (0.46) RXRAALDH1A1MAPTKDM4EKMT2A
SCHEMBL9165685 0.72 CYP3A4 (0.41) MCL1ALDH1A1ERN1CA12CA9
SCHEMBL9581021 0.72 ABL1 (0.50) RXRAALDH1A1MAPTKDM4EKMT2A
SCHEMBL197284 0.71 ALDH1A3 (0.56) RXRARXRBMCL1PTPN5ALDH1A1

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-0314195-B1 Electrophotographic sensitive material MITA INDUSTRIAL CO LTD (JP) 1995-03-22 — — EP disclosed
US-4877702-A PERYLENE TYPE ELECTRIC CHARGE GENERATING SUBSTANCE AND DIAMINE DERIVATIVE AS ELECTRIC CHARGE TRANSFERRING SUBSTANCE MITA INDUSTRIAL CO., LTD. (JP) 1989-10-31 — — US disclosed
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