SCHEMBL9626748

SCHEMBL9626748

CCCCCCCCCCCCCCOc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.66
RARA P10276 2/20 0.66
PTPN11 Q06124 5/20 0.61
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 1/20 0.57
RARG P13631 1/20 0.57
MCL1 Q07820 1/20 0.56
PLA2G2A P14555 1/20 0.55

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
SCHEMBL7814595 1.00 RARB (0.66) RARBRARAPTPN11TP53TSHR
SCHEMBL1583118 1.00 RARB (0.66) RARBRARAPTPN11TP53TSHR
SCHEMBL7824715 1.00 RARB (0.66) RARBRARAPTPN11TP53TSHR
SCHEMBL7821266 1.00 RARB (0.66) RARBRARAPTPN11TP53TSHR
Hydrochloric Acid SCHEMBL9626908 0.99 RARB (0.64) RARBRARAPTPN11TP53TSHR
Hydrochloric Acid SCHEMBL9650215 0.99 RARB (0.64) RARBRARAPTPN11TP53TSHR
SCHEMBL7825340 0.95 RARB (0.71) RARBRARAPTPN11TP53TSHR
SCHEMBL3874777 0.89 RARA (0.63) RARBRARAPTPN11MCL1
SCHEMBL7610607 0.89 RARB (0.83) RARBRARAPTPN11TP53TSHR
SCHEMBL8642272 0.89 RARB (0.83) RARBRARAPTPN11TP53TSHR

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-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed