SCHEMBL9811873

SCHEMBL9811873

O=C(O)Cc1ccc(C2=CCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.59
TSHR P16473 2/20 0.59
ABCC4 O15439 1/20 0.59
PTGS1 P23219 1/20 0.59
HTT P42858 1/20 0.59
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
RXRA P19793 6/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 6/20 0.50
AKR1B1 P15121 1/20 0.50
QPCT Q16769 1/20 0.46
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.43
NSD2 O96028 1/20 0.43
GRK2 P25098 1/20 0.43

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
SCHEMBL11861303 0.87 ABCC4 (0.53) LMNAGAATSHRABCC4PTGS1
SCHEMBL11857930 0.87 ACMSD (0.54) LMNAGAATSHRABCC4PTGS1
SCHEMBL10047635 0.80 LMNA (0.50) LMNAGAATSHRABCC4PTGS1
SCHEMBL68027 0.80 LMNA (0.86) LMNAGAATSHRABCC4PTGS1
SCHEMBL18427891 0.80 LMNA (0.86) LMNAGAATSHRABCC4PTGS1
SCHEMBL69614 0.78 CA2 (0.79) LMNAGAATSHRABCC4PTGS1
SCHEMBL27708959 0.76 LMNA (0.59) LMNAGAATSHRABCC4PTGS1
Hydrochloric Acid SCHEMBL25180348 0.75 CA2 (0.75) LMNAGAATSHRABCC4PTGS1
Hydrochloric Acid SCHEMBL6765874 0.75 CA2 (0.75) LMNAGAATSHRABCC4PTGS1
SCHEMBL9320716 0.74 PTGS2 (0.41) TSHRPTGS1CA2

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-0251357-B1 ENGINEERING THERMOPLASTICS CONTAINING PENDANT BENZOCYCLOBUTENE GROUPS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-17 EP disclosed
EP-0251357-A1 Engineering thermoplastics containing pendant benzocyclobutene groups SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-01-07 EP disclosed
US-4708994-A CURING, CROSSLINKING; SOLVENT RESISTANCE SHELL OIL COMPANY (US) 1987-11-24 US disclosed