SCHEMBL9026535

SCHEMBL9026535

Cc1ccc(/C(=C\c2ccc(/C=C(/c3ccccc3)c3ccc(C)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.73
ESR1 P03372 2/20 0.59
CYP19A1 P11511 1/20 0.57
CYP11B2 P19099 1/20 0.57
ESR2 Q92731 1/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9026538 1.00 PTGS2 (0.73) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL9806382 0.98 PTGS2 (0.70) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL29222532 0.96 PTGS2 (0.68) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL8053369 0.91 PTGS2 (0.69) PTGS2ESR1ESR2CES2CES1
SCHEMBL2925327 0.91 PTGS2 (0.69) PTGS2ESR1ESR2CES2CES1
SCHEMBL29195200 0.91 PTGS2 (0.63) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL12763721 0.89 PTGS2 (0.61) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL14570428 0.89 PTGS2 (0.61) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL14526457 0.89 PTGS2 (0.61) PTGS2ESR1CYP19A1CYP11B2ESR2
SCHEMBL5937761 0.89 PTGS2 (0.61) PTGS2ESR1CYP19A1CYP11B2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387715-B1 Electroluminescent element IDEMITSU KOSAN CO (JP) 1996-02-14 EP disclosed
US-5126214-A Combination of electroluminescent and fluorescent materials to give all visible colors IDEMITSU KOSAN CO., LTD. (JP) 1992-06-30 US disclosed
EP-0387715-A2 Electroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-09-19 EP disclosed