SCHEMBL17845447

SCHEMBL17845447

C=C(CC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 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
SCHEMBL7125897 0.84 ALDH1A1 (0.53) ALDH1A1
SCHEMBL19766894 0.81 ALDH1A1 (0.52) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL1089318 0.81 POLB (0.46) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL171499 0.77 GAA (0.46) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL22845698 0.75 SCN9A (0.39) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL1788313 0.74 POLB (0.66) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL23420399 0.74 HSD11B1 (0.47) ALDH1A1THRBTSHR
SCHEMBL76909 0.73 ALDH1A1 (0.40) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL5608620 0.73 ALDH1A1 (0.45) GAAALDH1A1THRBMEN1KMT2A
SCHEMBL17818866 0.73 POLB (0.50) GAAALDH1A1THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233998-B1 POLYMERIC MATERIALS WITH NEGATIVE PHOTOELASTIC CONSTANTS ROHM & HAAS ELECT MAT (US) 2019-01-30 EP disclosed
US-20170362409-A1 POLYMERIC MATERIALS WITH NEGATIVE PHOTOELASTIC CONSTANTS ROHM & HAAS ELECT MAT (US) 2017-12-21 US disclosed
EP-3233998-A1 POLYMERIC MATERIALS WITH NEGATIVE PHOTOELASTIC CONSTANTS Rohm and Haas Electronic Materials LLC (US) 2017-10-25 EP disclosed
WO-2016099973-A1 POLYMERIC MATERIALS WITH NEGATIVE PHOTOELASTIC CONSTANTS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2016-06-23 WO disclosed