SCHEMBL3800542

SCHEMBL3800542

C[C](C)c1cccc(CC=C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C2 P52895 2/20 0.39
GGPS1 O95749 1/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.36
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL1904000 0.86 GGPS1 (0.47) AKR1C3AKR1C4AKR1C2GGPS1HTT
SCHEMBL13105380 0.84 FOLH1 (0.56) HTTFOLH1
SCHEMBL8848832 0.78 TAAR1 (0.47) AKR1C3AKR1C2GGPS1ALDH1A1
SCHEMBL2811400 0.78 PRSS1 (0.44) AKR1C3AKR1C2GGPS1PRSS1PRSS2
SCHEMBL27314752 0.78 GGPS1 (0.43) AKR1C3AKR1C4AKR1C2GGPS1HTT
SCHEMBL2229094 0.77 MAOB (0.47) AKR1C3AKR1C2GGPS1PRSS1PRSS2
SCHEMBL13189961 0.77 GGPS1 (0.42) AKR1C3AKR1C4AKR1C2GGPS1HTT
SCHEMBL27259071 0.77 TAAR1 (0.46)
SCHEMBL28041732 0.77 CYP1A2 (0.44) AKR1C3AKR1C2GGPS1HTTHPGD
SCHEMBL9454043 0.77 GGPS1 (0.42) AKR1C3AKR1C4AKR1C2GGPS1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454326-B1 Dispersant-antioxidant multifunctional viscosity index improver TEXACO DEVELOPMENT CORP (US) 1996-02-28 EP claimed
US-4769419-A ACRYLATED CONJUGATED POLYMERS REACTED WITH ISOCYANATES LORD CORPORATION, A CORP OF PA. 1988-09-06 US claimed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO disclosed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US disclosed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO disclosed