SCHEMBL8763137

SCHEMBL8763137

CC(C)(c1ccc(CC#N)cc1)c1ccc(CC#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
CYP3A4 P08684 2/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 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
SCHEMBL8992875 0.92 ESR1 (0.48) ESR1ESR2CYP3A4KMT2AALDH1A1
SCHEMBL105433 0.86 KIF11 (0.47) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL10730816 0.84 ESR1 (0.39) ESR1ESR2L3MBTL1KMT2AALDH1A1
SCHEMBL18648717 0.84 ESR1 (0.36) ESR1ESR2L3MBTL1KMT2AALDH1A1
SCHEMBL7873873 0.83 PDE2A (0.41) ESR1ESR2TSHRSLC6A2SLC6A4
SCHEMBL15125629 0.81 KIF11 (0.57) ESR1ESR2TSHRSLC22A12KDM4E
SCHEMBL18949345 0.81 NPC1 (0.42) ESR1ESR2L3MBTL1KMT2ASLC22A12
SCHEMBL2154504 0.80 KMT2A (0.47) L3MBTL1KMT2AKDM4ETDP1PKM
SCHEMBL4498551 0.78 MMP3 (0.41) ESR1ESR2L3MBTL1KMT2AALDH1A1
SCHEMBL246959 0.77 TAAR1 (0.48) TSHRKMT2AALDH1A1KDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed