SCHEMBL5033205

SCHEMBL5033205

C=C(C)c1ccc(-c2ccc(CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PLK1 P53350 1/20 0.44
EGFR P00533 1/20 0.42
NQO2 P16083 1/20 0.41
BCL2 P10415 1/20 0.41
TP53 P04637 1/20 0.40
METAP2 P50579 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
RARB P10826 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSD17B1 P14061 1/20 0.38
UCHL1 P09936 1/20 0.38
SLC6A7 Q99884 1/20 0.38

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
SCHEMBL1362104 0.93 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RXRARXRBPLK1
SCHEMBL9516265 0.83 MAPT (0.44) ALDH1A1SMN1; SMN2RXRARXRBHSD17B1
SCHEMBL5034607 0.81 BCL2 (0.49) BCL2TDP1
SCHEMBL13818585 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RXRARXRBPLK1
SCHEMBL15214998 0.78 KMT2A (0.61) ALDH1A1SMN1; SMN2RXRARXRBPLK1
SCHEMBL6510433 0.78 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2RXRARXRBPLK1
SCHEMBL1622617 0.78 KMT2A (0.61) ALDH1A1SMN1; SMN2RXRARXRBPLK1
Ethylbenzene SCHEMBL21175617 0.78 TP53 (0.61) ALDH1A1SMN1; SMN2TP53RAB9ATDP1
SCHEMBL2776957 0.78 TP53 (0.56) ALDH1A1SMN1; SMN2EGFRTP53METAP2
SCHEMBL1702558 0.78 TP53 (0.56) ALDH1A1SMN1; SMN2EGFRTP53METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168886-B1 METALLIC LAYER COMPRISING ALKALI METAL AND SECOND METAL NOVALED GMBH (DE) 2021-06-02 EP disclosed
US-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed