SCHEMBL18077481

SCHEMBL18077481

CC(c1ccc(C(=O)O)cc1)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.65
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
RARB P10826 1/20 0.59
RARG P13631 1/20 0.59
NR1H4 Q96RI1 3/20 0.55
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 1/20 0.53
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50

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
SCHEMBL7776694 0.93 ESR1 (0.59) SRD5A2TP53TSHRRARBRARG
SCHEMBL30295456 0.93 ESR1 (0.59) SRD5A2TP53TSHRRARBRARG
SCHEMBL36693 0.85 SRD5A2 (0.87) SRD5A2TP53TSHRRARBRARG
SCHEMBL11772204 0.85 SRD5A2 (0.65) SRD5A2TP53TSHRRARBRARG
SCHEMBL71433 0.85 SRD5A2 (0.65) SRD5A2TP53TSHRRARBRARG
SCHEMBL1635858 0.85 SRD5A2 (0.65) SRD5A2TP53TSHRRARBRARG
SCHEMBL28857300 0.84 SRD5A2 (0.50) SRD5A2TP53TSHRRARBRARG
Terephthalic Acid SCHEMBL10332533 0.84 TSHR (0.75) SRD5A2TP53TSHRRARBRARG
Benzoic Acid SCHEMBL9258304 0.83 ESR1 (0.70) SRD5A2TSHRRARBRARGALDH1A1
Hydrochloric Acid SCHEMBL25180291 0.83 SRD5A2 (0.63) SRD5A2TP53TSHRRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711162-B2 Adhesive agent DAICEL CORPORATION (JP) 2020-07-14 US disclosed
US-20160264822-A1 ADHESIVE AGENT DAICEL CORPORATION (JP) 2016-09-15 US disclosed