SCHEMBL599437

SCHEMBL599437

Cc1ccc(C(=O)N(CC2CCCO2)c2ccc(F)c([Ti](C3=CC=CC3)(C3=CC=CC3)c3c(F)ccc(N(CC4CCCO4)C(=O)c4ccc(C)cc4)c3F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
OXTR P30559 7/20 0.38
AVPR1A P37288 5/20 0.38
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL482930 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1OXTRAVPR1A
SCHEMBL28608345 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1OXTRAVPR1A
SCHEMBL598466 0.86 PDK1 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL482941 0.83 CASP6 (0.32) KMT2ATP53HPGDCASP6
SCHEMBL483362 0.82 MLYCD (0.31) TP53
SCHEMBL599368 0.81 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL597724 0.80 BCHE (0.32) ALDH1A1HSD17B10
SCHEMBL599113 0.79 S1PR1 (0.35) ALDH1A1HSD17B10
SCHEMBL599447 0.79 S1PR1 (0.33) ALDH1A1TP53NPC1RAB9AHSD17B10
SCHEMBL599290 0.79 RAB9A (0.36) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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-8114569-B2 Maskless photopolymer exposure process and apparatus PHOTOCENTRIC LIMITED (GB) 2012-02-14 US disclosed
US-20090190107-A1 MASKLESS PHOTOPOLYMER EXPOSURE PROCESS AND APPARATUS PHOTOCENTRIC LIMITED (GB) 2009-07-30 US disclosed