SCHEMBL11523712

SCHEMBL11523712

CCS(=O)(=O)O.COc1ccc2c(c1)c(CCN1CCCCC1CC1CCCCC1)c(C)n2C(=O)c1ccccc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PLA2G2A P14555 1/20 0.51
PTGS2 P35354 7/20 0.51
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 3/20 0.47
PTGS1 P23219 2/20 0.47

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
SCHEMBL11519435 0.95 LMNA (0.57) LMNACYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL11517541 0.95 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11521766 0.94 LMNA (0.57) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11522980 0.90 PTGS2 (0.52) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11521126 0.88 PTGS2 (0.51) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11523590 0.88 PTGS2 (0.65) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11519530 0.88 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11517720 0.87 PTGS2 (0.55) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11518381 0.87 PTGS2 (0.53) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11521240 0.87 AKR1C3 (0.56) LMNACYP1A2CYP2D6CYP2C9TSHR

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-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 US disclosed