SCHEMBL9068426

SCHEMBL9068426

CCC(CC)OC(=O)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAOA P21397 2/20 0.59
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4D Q08499 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 2/20 0.49
HTR3A P46098 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46

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
SCHEMBL6227983 0.90 CA12 (0.50) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL6354871 0.86 MAPT (0.56) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL1162835 0.85 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5571825 0.84 LMNA (0.58) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL20663411 0.84 LMNA (0.58) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL23931631 0.83 CA12 (0.63) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL269052 0.83 LMNA (0.52) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL6227986 0.83 MAPT (0.57) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL16020452 0.83 MAPT (0.45) LMNARAB9AMAPTALDH1A1NPSR1
SCHEMBL443912 0.81 TSHR (0.57) LMNACYP1A2TSHRNPC1RAB9A

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
US-5482986-A ULTRAVIOLET RADIATION ABSORBER FOR THERMOPLASTIC RESINS; COLORLESS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-09 US disclosed
EP-0635504-A1 Benzopyran compound and use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-25 EP disclosed