SCHEMBL9099644

SCHEMBL9099644

[Li]CCC(CC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PBRM1 Q86U86 1/20 0.37
RIPK1 Q13546 1/20 0.36
HRH1 P35367 5/20 0.35
HTR2A P28223 4/20 0.35
SIGMAR1 Q99720 1/20 0.35
MIF P14174 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TRPA1 O75762 1/20 0.34
AOC3 Q16853 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL8095438 0.85 LMNA (0.52) LMNAPBRM1RIPK1HRH1HTR2A
SCHEMBL8101789 0.83 LMNA (0.52) LMNAPBRM1HRH1HTR2AMIF
SCHEMBL8086502 0.80 ALDH1A1 (0.49) LMNAPBRM1HRH1HTR2ASIGMAR1
SCHEMBL8096631 0.78 LMNA (0.45) LMNAHTR2ASIGMAR1KDM4EALDH1A1
SCHEMBL10238609 0.75 LMNA (0.50) LMNAPBRM1RIPK1HKDC1TRPA1
Phosphonic Acid SCHEMBL9264939 0.73 ALDH1A1 (0.47) LMNAKDM4EALDH1A1POLB
Diethylamine SCHEMBL11106466 0.73 ALDH1A1 (0.50) LMNAHRH1HTR2AKDM4EALDH1A1
SCHEMBL7766694 0.71 HRH1 (0.56) LMNAHRH1HTR2ASIGMAR1ALDH1A1
SCHEMBL3646327 0.69 TAAR1 (0.48) LMNAPBRM1HRH1HTR2AAOC3
SCHEMBL3861713 0.69 HKDC1 (0.55) LMNAHRH1HTR2AMIFHKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509357-B1 Polyisobutylene based block copolymers BAYER RUBBER INC (CA) 1996-06-05 EP disclosed
US-5362817-A Polyisobutylene based block copolymers POLYSAR RUBBER CORPORATION (CA) 1994-11-08 US disclosed
US-5260383-A Reacting polyisobutylene having terminal allyl halogen groups with a living alkali metal-terminated polymer to form star block copolymer POLYSAR RUBBER CORPORATION (CA) 1993-11-09 US disclosed
EP-0509357-A1 Polyisobutylene based block copolymers BAYER RUBBER INC. (CA) 1992-10-21 EP disclosed