SCHEMBL7513550

SCHEMBL7513550

CCCCCCOc1cc(OCCCCCC)c([N+]#N)c(OCCCCCC)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.40
PLA2G2A P14555 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MCHR1 Q99705 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL7520689 0.86 TSHR (0.39) S1PR3TSHRLMNAHTTKCNH2
SCHEMBL6847398 0.85 PLA2G2A (0.39) S1PR3PLA2G2ATSHRCA12CA1
SCHEMBL92103 0.82 PLA2G2A (0.50) PLA2G2ATSHRALDH1A1
SCHEMBL8059417 0.81 LMNA (0.41) S1PR3TSHRLMNAHTTKCNH2
SCHEMBL6848210 0.80 CA2 (0.42) TSHRLMNAHTTKCNH2CYP2D6
SCHEMBL12535684 0.77 PLA2G2A (0.45) PLA2G2ATSHR
SCHEMBL12083487 0.77 PLA2G2A (0.39) PLA2G2ATSHRLMNANR1I2ALDH1A1
SCHEMBL92094 0.76 PLA2G2A (0.41) PLA2G2ATSHRKCNH2CYP2D6CYP2C9
SCHEMBL15372495 0.74 PLA2G2A (0.41) PLA2G2ATSHRALDH1A1
SCHEMBL10950170 0.74 TSHR (0.62) TSHRCA12CA1CA2CA7

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-0899614-B1 Image recording material FUJI PHOTO FILM CO LTD (JP) 2002-01-09 EP disclosed
US-6162574-A Image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-12-19 US disclosed
EP-0899614-A1 Image recording material Fuji Photo Film Co., Ltd. (JP) 1999-03-03 EP disclosed