SCHEMBL9702089

SCHEMBL9702089

CCCCCc1ccc2cc(Nc3ccc(O)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56
TST Q16762 1/20 0.56

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
SCHEMBL31498429 0.87 HSD17B10 (0.54) CYP3A4ALDH1A1LMNAHSD17B10MAPT
SCHEMBL31498428 0.85 ALDH1A1 (0.53) CYP3A4ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4065606 0.82 PTGS2 (0.63) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9700041 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2050474 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2046991 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9698501 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2049841 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2047392 0.81 PTGS2 (0.67) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL450142 0.81 ALDH1A1 (0.54) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP claimed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US claimed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP claimed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed