SCHEMBL9123663

SCHEMBL9123663

CC(C)(c1ccc(O)cc1)c1ccc(NC(=O)Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ LTA4H P09960 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ FAAH O00519 6/20 0.51

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
SCHEMBL9125861 0.90 RAB9A (0.57) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL9124673 0.89 MAPT (0.58) RAB9ASMN1; SMN2ALDH1A1LMNAFAAH
SCHEMBL9126567 0.88 ALDH1A1 (0.61) RAB9ASMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL9124905 0.88 ALDH1A1 (0.61) RAB9ASMN1; SMN2ALDH1A1LMNAFAAH
SCHEMBL9146199 0.86 MAPT (0.56) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL9125614 0.85 PORCN (0.55) RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9123589 0.85 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9126941 0.85 PORCN (0.55) RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2475340 0.85 RAB9A (0.76) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL6059951 0.83 SLC6A2 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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