SCHEMBL7973167

SCHEMBL7973167

CC1(c2ccccc2)CCC(=O)CC1(O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.41
AKR1C1 Q04828 1/20 0.40
KCNA3 P22001 4/20 0.36
TSHR P16473 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HDAC4 P56524 2/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL13226486 0.74 AKR1C1 (0.60) MEN1KMT2ACYP2C9ALDH1A1AKR1C1
SCHEMBL12540448 0.72 MEN1 (0.53) MEN1KMT2ACYP2C9ALDH1A1AKR1C1
SCHEMBL12540446 0.72 MEN1 (0.53) MEN1KMT2ACYP2C9ALDH1A1AKR1C1
SCHEMBL31611378 0.71
Acetic Acid SCHEMBL27502922 0.69 MEN1 (0.55) MEN1KMT2ACYP2C9ALDH1A1AKR1C1
SCHEMBL631791 0.68 AKR1C1 (0.68) MEN1KMT2ACYP2C9AKR1C1HDAC4
SCHEMBL13226485 0.68 MEN1 (0.47) MEN1KMT2ACYP2C9AKR1C1KCNA3
SCHEMBL16137494 0.68 MEN1 (0.47) MEN1KMT2ACYP2C9AKR1C1KCNA3
SCHEMBL7810392 0.67 MEN1 (0.63) MEN1KMT2ACYP2C9ALDH1A1AKR1C1
SCHEMBL11569214 0.67 MEN1 (0.76) MEN1KMT2ACYP2C9ALDH1A1AKR1C1

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-6218406-B1 AS ANTITUMOR AND ANTILEUKEMIC AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-17 US disclosed
US-6124465-A Farnesyl transferase inhibitors, their preparation, the pharmaceutical compositions which contain them and their use in the preparation of medicaments RHONE-POULENC S.A. (FR) 2000-09-26 US disclosed
US-6013662-A ANTITUMOR, ANTICARCINOGENIC AGENTS RHONE-POULENC RORER S.A. (FR) 2000-01-11 US disclosed