SCHEMBL8777841

SCHEMBL8777841

CC(C)(C)c1cc(C(=O)Nc2ccccc2NC(=O)NCC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
TOP1 P11387 1/20 0.44
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
MAOB P27338 2/20 0.41
CCR3 P51677 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TNFRSF1A P19438 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
CASR P41180 1/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL8805789 0.81 CCR3 (0.47) MAOBCCR3ALDH1A1CYP1A2CYP3A4
SCHEMBL8777969 0.79 EPHX2 (0.52) TOP1TOP2ATOP2BALDH1A1
SCHEMBL3661171 0.76 TOP1 (0.57) TOP1TOP2ATOP2BALDH1A1TNFRSF1A
SCHEMBL9417251 0.75 MEN1 (0.60) ALDH1A1LMNANR1H4
SCHEMBL11802443 0.75 HPGD (0.59) TOP1TOP2ATOP2BALDH1A1LMNA
SCHEMBL8844428 0.74 NPC1 (0.65) TOP1TOP2ATOP2BALDH1A1HSD17B13
SCHEMBL8777865 0.74 HDAC1 (0.58) TOP1TOP2ATOP2B
SCHEMBL8777972 0.74 TOP1 (0.48) TOP1TOP2ATOP2BMAOBALDH1A1
SCHEMBL8777893 0.74 KMT2A (0.59) MAOBALDH1A1TSHRLMNA
SCHEMBL8777987 0.74 TRPV1 (0.49) TOP1TOP2ATOP2BMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US claimed
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed