SCHEMBL9702598

SCHEMBL9702598

CCCCC(O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
RAD52 P43351 1/20 0.48
CYP2C9 P11712 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL6317871 0.84 MEN1 (0.57) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL31036064 0.84 MEN1 (0.57) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL4625231 0.81 TAAR1 (0.54) CYP2C9HSD17B10CYP1A2TSHRHIF1A
SCHEMBL14783099 0.80 ABCB11 (0.55) CYP2C9CYP1A2TSHRMEN1KMT2A
SCHEMBL4912776 0.79 HDAC1 (0.58) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL7533082 0.79 HSD17B10 (0.43) PTPN1CYP2C9HSD17B10TSHRHIF1A
SCHEMBL10360541 0.79 HIF1A (0.60) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL3323530 0.78 HDAC1 (0.61) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL4915603 0.78 HDAC1 (0.61) CYP2C9MAPK1CYP1A2TSHRHIF1A
SCHEMBL9121212 0.76 TAAR1 (0.52) CYP2C9HSD17B10CYP1A2TSHRHIF1A

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-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