SCHEMBL19416664

SCHEMBL19416664

CC1C=Cc2ccc3ccccc3c(=O)c2C=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.39
▸ PAX8 Q06710 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ AKR1B1 P15121 3/20 0.33
▸ HPRT1 P00492 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL26316268 0.68 DHFR (0.36) CES1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL268735 0.67 ALDH1A1 (0.65) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29391827 0.67 ALDH1A1 (0.65) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30186719 0.67 ALDH1A1 (0.65) PAX8ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL12537716 0.67 ALDH1A1 (0.41) CES1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL22591443 0.66 CYP1A1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL22882248 0.65 PRNP (0.34) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6545899 0.64 ALDH1A1 (0.52) CES1PAX8ALDH1A1HSD17B10CYP2A6
SCHEMBL5702772 0.63 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9643984 0.62 CYP2A6 (0.55) PAX8ALDH1A1HSD17B10CYP2A6TSHR

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
EP-3225645-B1 PHOTOACTIVE ADDITIVES WITH PHOTOACTIVE MONOMERS AND ENDCAPS SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-08-07 — — EP disclosed
EP-3225645-A1 PHOTOACTIVE ADDITIVES WITH PHOTOACTIVE MONOMERS AND ENDCAPS SABIC Global Technologies B.V. (NL) 2017-10-04 — — EP disclosed
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