SCHEMBL9857653

SCHEMBL9857653

CCC(C(=O)c1ccc(OC(C)N(C)C)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RAB9A P51151 3/20 0.38
GBA1 P04062 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
USP5 P45974 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4100247 0.90 LMNA (0.59) LMNAHSD17B10RAB9AGBA1SMN1; SMN2
SCHEMBL6426219 0.90 LMNA (0.59) LMNAHSD17B10RAB9AGBA1SMN1; SMN2
SCHEMBL9857644 0.80 GBA1 (0.60) LMNAHSD17B10RXRARXRBRAB9A
SCHEMBL11356218 0.77 PPARG (0.42) LMNAHSD17B10GBA1
SCHEMBL7998270 0.75 LMNA (0.57) LMNAHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL7598201 0.74 ABCB1 (0.50) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1
SCHEMBL10697255 0.73 LMNA (0.58) LMNAHSD17B10CRHBPCRHR2SMN1; SMN2
SCHEMBL10827606 0.70 LMNA (0.83) LMNAHSD17B10SMN1; SMN2ALDH1A1NPSR1
SCHEMBL12134361 0.69 LMNA (0.61) LMNAHSD17B10CRHBPCRHR2RAB9A
SCHEMBL10828022 0.69 GBA1 (0.54) LMNAHSD17B10RAB9AGBA1SMN1; SMN2

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-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP disclosed
US-4897503-A ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY TAIHO PHARMACEUTICAL (JP) 1990-01-30 US disclosed
EP-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP disclosed