SCHEMBL18237103

SCHEMBL18237103

CCc1ccc(C(C)(CC)CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KIF11 P52732 2/20 0.40
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL22800125 0.93 ESR1 (0.50) ESR1ESR2TP53TAAR1KIF11
SCHEMBL13616455 0.83 ESR1 (0.42) ESR1ESR2LPLLIPGALDH1A1
SCHEMBL12981358 0.81 ESR1 (0.57) ESR1ESR2KIF11MEN1KMT2A
SCHEMBL13930907 0.81 ESR1 (0.52) ESR1ESR2TAAR1KIF11
SCHEMBL11539224 0.80 NPC1 (0.48) ESR1ESR2TP53TAAR1KIF11
SCHEMBL338386 0.79 BCHE (0.52) TP53TAAR1TSHR
SCHEMBL19731918 0.79 ESR1 (0.48) ESR1ESR2KIF11
SCHEMBL16106154 0.79 ESR1 (0.48) ESR1ESR2TP53TAAR1KIF11
SCHEMBL19981757 0.77 TSHR (0.55) ESR1ESR2KIF11ALDH1A1HPGD
SCHEMBL128572 0.77 LPL (0.46) ESR1ESR2TP53TAAR1KIF11

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-9633921-B2 Semiconductor encapsulation resin composition and semiconductor device comprised of cured product of the semiconductor encapsulation resin composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20160336246-A1 SEMICONDUCTOR ENCAPSULATION RESIN COMPOSITION AND SEMICONDUCTOR DEVICE COMPRISED OF CURED PRODUCT OF THE SEMICONDUCTOR ENCAPSULATION RESIN COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-17 US disclosed