SCHEMBL9717567

SCHEMBL9717567

C=C(CCC)Cc1ccc(OC2(C(=O)O)CCC2)c(Cl)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ABCC3 O15438 1/20 0.31
PLIN1 O60240 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GSTA1 P08263 1/20 0.31
GSTP1 P09211 1/20 0.31
MAPT P10636 1/20 0.31
HSPD1 P10809 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
MAP2K6 P52564 1/20 0.31
HSPE1 P61604 1/20 0.31
GSTO1 P78417 1/20 0.31
PLIN5 Q00G26 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL10669565 0.89
SCHEMBL9717533 0.87 ALDH1A1 (0.32) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL9717609 0.80 TSHR (0.38) MEN1ALDH1A1TSHRKMT2A
SCHEMBL9717561 0.80 GSTP1 (0.48) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL9717510 0.79 THRB (0.43) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL11603980 0.76 ALDH1A1 (0.54) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL10771173 0.76
SCHEMBL9717572 0.74 GSTP1 (0.59) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL9717546 0.74 THRB (0.46) MEN1ABCC3PLIN1ALDH1A1LMNA
SCHEMBL9717509 0.74 FFAR4 (0.47) MEN1ABCC3PLIN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240256-B1 COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA MERCK & CO. INC. (US) 1992-04-29 EP claimed
US-4731473-A Compounds useful in treating sickle cell anemia MERCK & CO., INC. (US) 1988-03-15 US claimed
US-4731381-A Method of treating a person for sickle cell anemia MERCK & CO., INC. (US) 1988-03-15 US claimed
EP-0240256-A2 Compounds useful in treating sickle cell anemia MERCK & CO. INC. (US) 1987-10-07 EP claimed
EP-0240256-B1 COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA MERCK & CO. INC. (US) 1992-04-29 EP disclosed
US-4731473-A Compounds useful in treating sickle cell anemia MERCK & CO., INC. (US) 1988-03-15 US disclosed
US-4731381-A Method of treating a person for sickle cell anemia MERCK & CO., INC. (US) 1988-03-15 US disclosed
US-4699926-A Compounds useful in treating sickle cell anemia MERCK & CO., INC. (US) 1987-10-13 US disclosed
EP-0240256-A2 Compounds useful in treating sickle cell anemia MERCK & CO. INC. (US) 1987-10-07 EP disclosed