SCHEMBL20169770

SCHEMBL20169770

CC(C)(C)/C=C/c1ccc(C(C)(C)C)s1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.39
YEATS4 O95619 1/20 0.35

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
SCHEMBL12750346 0.81 ALDH1A1 (0.46) MAPK1KMT2AALDH1A1
SCHEMBL25094359 0.81 MAPK1 (0.59) MAPK1KMT2AALDH1A1YEATS4
SCHEMBL13322015 0.79 KMT2A (0.58) MAPK1KMT2AALDH1A1YEATS4
SCHEMBL10685478 0.78 MAPK1 (0.52) MAPK1KMT2AALDH1A1YEATS4
SCHEMBL21654043 0.77 MAPT (0.48) MAPK1KMT2AALDH1A1
SCHEMBL21654054 0.75 ALDH1A1 (0.47) MAPK1KMT2AALDH1A1
SCHEMBL13508330 0.75 PTGS1 (0.46) MAPK1KMT2AALDH1A1
SCHEMBL5438378 0.74 ALDH1A1 (0.66) MAPK1KMT2AALDH1A1YEATS4
SCHEMBL25094244 0.73 MAPK1 (0.56) MAPK1KMT2AALDH1A1YEATS4
SCHEMBL21654123 0.72 ALDH1A1 (0.44) MAPK1KMT2AALDH1A1

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-20230330955-A1 METHOD OF PRODUCING NONLINEAR OPTICAL DEVICE NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2023-10-19 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed