SCHEMBL9158928

SCHEMBL9158928

CC1(C)CC(O)c2cc(C#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.53
ABCC9 O60706 8/20 0.43
ABCC8 Q09428 2/20 0.43
KCNJ11 Q14654 2/20 0.43
KCNJ8 Q15842 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
ABCB1 P08183 3/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM1A O60341 2/20 0.38
CYP11B2 P19099 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL10512412 0.87 PGR (0.60) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9160473 0.81 KDM1A (0.44) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9159266 0.81 ABCB1 (0.40) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL26649923 0.75 USP2 (0.42) PGRLMNAKDM4EKDM1A
SCHEMBL10511630 0.75 PGR (0.41) PGR
SCHEMBL7276900 0.74 KDM4E (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9032334 0.71 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9032326 0.71 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9032328 0.71 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL25444478 0.71 KDM1A (0.48) PGRABCC9ABCC8KCNJ11KCNJ8

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
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 US disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed