SCHEMBL6514875

SCHEMBL6514875

O=C(O)c1ccc(C#Cc2[c]cccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RARG P13631 4/20 0.47
PTPN11 Q06124 1/20 0.45
SLC16A3 O15427 3/20 0.43
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
RARA P10276 3/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 1/20 0.40
CRABP2 P29373 1/20 0.40
TP53 P04637 1/20 0.40
HNF4A P41235 1/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 1/20 0.39
ACACB O00763 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL1822569 0.82 APP (0.55) CYP3A4TP53PKMFFAR1GRM5
SCHEMBL402518 0.80 RARB (0.62) RARBRARGPTPN11SLC16A3TSHR
Hydrochloric Acid SCHEMBL2707922 0.78 RARB (0.60) RARBRARGPTPN11SLC16A3TSHR
SCHEMBL29789030 0.78 RARB (0.69) RARBRARGPTPN11SLC16A3TSHR
SCHEMBL69572 0.78 RARB (0.69) RARBRARGPTPN11SLC16A3TSHR
SCHEMBL5268395 0.75 CA2 (0.42) TSHRFFAR1
Hydrochloric Acid SCHEMBL5666955 0.75 RARB (0.67) RARBRARGPTPN11SLC16A3TSHR
SCHEMBL5403604 0.75 ALDH1A1 (0.47) PTPN11CYP3A4TP53PKMFFAR1
SCHEMBL5586491 0.75 APP (0.36) GRM5
SCHEMBL8093294 0.75 KCNH2 (0.50) TSHRACACBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6944047-B2 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-13 US claimed