SCHEMBL11389447

SCHEMBL11389447

CCN(c1ccccc1C)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CYP3A4 P08684 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MC4R P32245 1/20 0.34
SCN4A P35499 1/20 0.34
MC3R P41968 1/20 0.34
HTR3A P46098 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
SCHEMBL20467009 0.84 CYP3A4 (0.41) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL14930912 0.81 LMNA (0.39) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL8592279 0.79 AOC3 (0.36) LMNACYP3A4SLC6A2SLC6A4TSHR
SCHEMBL10989335 0.79 TAAR1 (0.43) LMNACYP3A4TP53KDM4EPER2
SCHEMBL10766412 0.78 CYP3A4 (0.37) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL20133731 0.78 CYP3A4 (0.37) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL28128935 0.77 SIGMAR1 (0.50) LMNASLC6A2SLC6A4TSHRNPSR1
SCHEMBL2124908 0.75 TSHR (0.39) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL11673976 0.75 LMNA (0.36) LMNACYP3A4TRPM8SLC6A2SLC6A4
SCHEMBL30551685 0.75 KDM4E (0.38) LMNACYP3A4SLC6A4TSHRALDH1A1

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-4295853-A EXTRACTING LIPOPEROXIDE FROM BLOOD OR SERUM, OXIDIZABLE COLOR REAGENT, COMPOUND OF MULTIVALENT METAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-20 US disclosed
US-3950287-A CURING, AMINES, FREE RADICAL CATALYSTS ASHLAND OIL, INC. (US) 1976-04-13 US disclosed