SCHEMBL17836855

SCHEMBL17836855

C=Cc1ccc(C(=O)C(=O)O[C@@H]2CC(C)CC[C@H]2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
CYP19A1 P11511 2/20 0.47
EPHX1 P07099 2/20 0.44
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SERPINE1 P05121 1/20 0.40
P2RX4 Q99571 1/20 0.40

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
SCHEMBL16036976 1.00 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL14844392 1.00 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL14254738 0.88 ALDH1A1 (0.56) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL5447643 0.88 ALDH1A1 (0.56) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL7567134 0.84 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL18759153 0.84 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL9015221 0.84 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1EPHX1MAPT
Styrene SCHEMBL11450691 0.82 ALDH1A1 (0.52) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL5783542 0.81 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL30273375 0.78 ALDH1A1 (0.58) ALDH1A1HPGDCYP19A1EPHX1MAPT

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-2748208-B1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH & CIE (CH) 2016-06-22 EP disclosed