SCHEMBL9515201

SCHEMBL9515201

CC(C)(C)CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)CC(C)(C)C)ccc1OP(F)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
MAPT P10636 1/20 0.31
DRD1 P21728 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL10583715 0.85 SHBG (0.34) SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL7560736 0.83 SHBG (0.42) SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL9515196 0.81 CNR2 (0.46) DRD3
SCHEMBL9359263 0.79 SHBG (0.39) SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL9326390 0.70 DRD1 (0.31) DRD1
SCHEMBL7639662 0.66 NPC1 (0.36) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL9356300 0.65 LPL (0.40) SHBGCYP3A4HIF1AESR1TP53
SCHEMBL669017 0.64 ALDH1A1 (0.38) MEN1MAPTKMT2A
SCHEMBL21346938 0.64 SHBG (0.44) SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL11801822 0.63 SHBG (0.43) SHBGCYP3A4CYP2D6HIF1ASMN1; SMN2

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-0301355-B1 Aqueous aryl fluorophosphite suspension ETHYL CORP (US) 1993-12-29 EP disclosed
US-4867907-A POLYMER STABILIZERS ETHYL CORPORATION (US) 1989-09-19 US disclosed