SCHEMBL11248709

SCHEMBL11248709

O=C(O)CC1(c2ccccc2)CCCC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.45
AKR1C1 Q04828 1/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HDAC4 P56524 2/20 0.35
CYP1A2 P05177 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL11254574 0.82 ALDH1A1 (0.46) KMT2ATSHRLMNAOPRM1
SCHEMBL11244360 0.81 LMNA (0.41) HSD11B1AKR1C1KMT2ALMNAHTT
SCHEMBL11492175 0.78 SLC22A1 (0.50) KMT2ATSHROPRM1
SCHEMBL11492176 0.78 SLC22A1 (0.50) KMT2ATSHROPRM1
SCHEMBL11651250 0.78 SLC22A1 (0.50) KMT2ATSHROPRM1
SCHEMBL11651256 0.78 SLC22A1 (0.50) KMT2ATSHROPRM1
SCHEMBL11487518 0.78 SLC22A1 (0.50) KMT2ATSHROPRM1
SCHEMBL11250668 0.71 GAA (0.44) KMT2ATSHRHTTCYP1A2OPRM1
SCHEMBL11252284 0.70 LMNA (0.39) HSD11B1AKR1C1KMT2ALMNAHTT
SCHEMBL4608031 0.69 AKR1C1 (0.38) AKR1C1LMNAHTTHDAC4

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-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed