SCHEMBL11653695

SCHEMBL11653695

CC1=CC(C)(C)Nc2cccc(C)c21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ PGR P06401 15/20 0.49
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NR3C1 P04150 4/20 0.44
▸ AR P10275 3/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ ESR2 Q92731 1/20 0.43

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
SCHEMBL11035448 0.75 NR3C1 (0.54) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL8856767 0.74 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL29351296 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL44875 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL5495793 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL940450 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL9609269 0.72 PGR (0.55) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL12236606 0.72 PGR (0.44) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL12236608 0.72 PGR (0.44) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
Hydrochloric Acid SCHEMBL11446966 0.71 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TDP1KDM4E

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-4081592-A PROCESS OF POLYMERIZING ACRYLONITRILE COPOLYMERS EMPLOYING TERPINOLENE OR GAMMA TERPINENE AS A CHAIN MODIFIER THE STANDARD OIL COMPANY (US) 1978-03-28 — — US disclosed
US-4069195-A FOR POLYOLEFINS THE B.F. GOODRICH COMPANY (US) 1978-01-17 — — US disclosed
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