SCHEMBL8771766

SCHEMBL8771766

CC1(C)C=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PTPRC P08575 4/20 0.43
S100A4 P26447 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP19A1 P11511 2/20 0.42
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8771814 0.79 RARB (0.55) PTGS2PTGDR2LMNAHPGDPDE4D
SCHEMBL17275573 0.75 RARB (0.50) POLBPTPRCKMT2AALDH1A1
SCHEMBL6391559 0.72 PTGS2 (0.69) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL28207049 0.72 PTGS2 (0.73) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL5935201 0.71 PTGS2 (0.55) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL629839 0.71 PTGS2 (0.59) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL28447894 0.70 PTPRC (0.53) PTGS2PTPRCS100A4BCHEACHE
SCHEMBL5935200 0.69 PTGS2 (0.56) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL10904251 0.69 ALDH1A1 (0.63) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL28056581 0.69 PTGS2 (0.56) PTGS2POLBRAB9APTPRCS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed