SCHEMBL27999999

SCHEMBL27999999

CC(C)(C)c1cc(CCC(=O)OO)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
ELANE P08246 1/20 0.38
CD69 Q07108 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
GAA P10253 3/20 0.37
HMGCR P04035 2/20 0.37
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
EPHX2 P34913 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7918647 0.86 RXRA (0.47) RXRARXRBRXRGELANECD69
SCHEMBL30005298 0.81 RXRA (0.44) RXRARXRBRXRGELANECD69
SCHEMBL27871629 0.81 RXRA (0.53) RXRARXRBRXRGELANECD69
SCHEMBL9702460 0.79 RXRA (0.70) RXRARXRBRXRGELANECD69
SCHEMBL10751069 0.79 RXRA (0.51) RXRARXRBRXRGELANECD69
SCHEMBL24175510 0.79 GAA (0.60) GAAHMGCRKMT2ACYP2C19
SCHEMBL2387771 0.78 RXRA (0.50) RXRARXRBRXRGELANECD69
Methane SCHEMBL9419508 0.78 RXRA (0.68) RXRARXRBRXRGELANECD69
SCHEMBL9238525 0.78 TSHR (0.43) RXRARXRBRXRGELANECD69
SCHEMBL11344118 0.77 CNR1 (0.42) RXRARXRBRXRGGAAKMT2A

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
CN-104246036-B High tenacity high-modulus UHMWPE fiber and its manufacture method 霍尼韦尔国际公司 2017-03-08 CN disclosed
CN-105555885-A Solvent borne coating composition having improved sag resistance and process for producing coatings therefrom COATINGS FOREIGN IP CO LLC 2016-05-04 CN disclosed
CN-104334667-A Coating composition with improved substrate adhesion COATINGS FOREIGN IP CO LLC 2015-02-04 CN disclosed