SCHEMBL8921620

SCHEMBL8921620

CCCCCCOc1ccc(OC(=O)CCCCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
PLA2G4B P0C869 2/20 0.59
KMT2A Q03164 1/20 0.59
NR5A1 Q13285 1/20 0.59
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
ESR1 P03372 1/20 0.58
RARB P10826 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
FAAH O00519 4/20 0.56

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
SCHEMBL10540387 0.95 RARB (0.64) TP53TSHRSMN1; SMN2PLA2G4BKMT2A
SCHEMBL10432965 0.93 TP53 (0.61) TP53TSHRSMN1; SMN2PLA2G4BNR5A1
SCHEMBL8612394 0.93 L3MBTL1 (0.57) TP53TSHRSMN1; SMN2PLA2G4BKMT2A
SCHEMBL5696854 0.91 KMT2A (0.68) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL15549028 0.91 KMT2A (0.68) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL5696715 0.91 KMT2A (0.68) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL5696798 0.91 KMT2A (0.68) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL15549194 0.90 KMT2A (0.66) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL10407329 0.89 KMT2A (0.65) SMN1; SMN2KMT2ANPC1LMNAESR1
SCHEMBL9160861 0.88 TP53 (0.63) TP53TSHRSMN1; SMN2PLA2G4BNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679801-A ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-21 US disclosed