SCHEMBL15070053

SCHEMBL15070053

Cc1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.39
▸ HSD17B1 P14061 7/20 0.38
▸ HSD17B2 P37059 7/20 0.38
▸ PGR P06401 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ APP P05067 2/20 0.34
▸ SNCA P37840 1/20 0.34
▸ PRF1 P14222 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL15070055 0.98 PDK2 (0.38) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL12744012 0.97 PDK2 (0.38) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL12744014 0.95 PDK2 (0.37) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL12744418 0.95 PDK2 (0.37) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL15070064 0.90 TSHR (0.38) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL12440734 0.89 PGR (0.40) PDK2HSD17B1HSD17B2PGRSNCA
SCHEMBL10023966 0.89 PGR (0.41) PDK2PGR
SCHEMBL15070066 0.89 WRN (0.35) PDK2HSD17B1HSD17B2PGRCYP3A4
SCHEMBL12744097 0.86 PGR (0.48) PDK2HSD17B1HSD17B2PGR
SCHEMBL15070068 0.86 PDK2 (0.38) PDK2HSD17B1HSD17B2PGRCYP3A4

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-8716703-B2 Organic semiconductor transistor FUJI XEROX CO., LTD. (JP) 2014-05-06 — — US disclosed
US-20130161589-A1 ORGANIC SEMICONDUCTOR TRANSISTOR FUJI XEROX CO., LTD. (JP) 2013-06-27 — — US disclosed
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