SCHEMBL1506790

SCHEMBL1506790

CC1(C)Cc2cc(C(=O)O)ccc2OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
ALOX5 P09917 1/20 0.38
SSTR5 P35346 1/20 0.38
SRD5A2 P31213 5/20 0.37
SRD5A1 P18405 3/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL5320647 0.88 RXRA (0.47) RXRATDP1ALDH1A1MAPK1CA12
SCHEMBL2812534 0.84 RXRA (0.52) RXRATDP1ALDH1A1MAPK1CA12
SCHEMBL10822265 0.79 RXRA (0.48) RXRATDP1ALDH1A1MAPK1CA12
SCHEMBL6489983 0.78 RXRA (0.47) RXRATDP1ALDH1A1MAPK1CA12
SCHEMBL433187 0.77 MAPT (0.45) ALDH1A1KDM4EMAPTRAB9A
SCHEMBL30195971 0.75 RXRA (0.64) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL14898029 0.75 RXRA (0.50) RXRATDP1ALDH1A1MAPK1CA12
SCHEMBL3880185 0.75 RXRA (0.64) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL27858945 0.74 TSHR (0.45) RXRAALDH1A1KDM4ETSHR
SCHEMBL6559892 0.74 RXRA (0.49) RXRATDP1ALDH1A1MAPK1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289547-A1 Vaccine for treatment and prevention of herpes simplex virus infection Antigenics Inc. (US) 2011-03-02 EP disclosed