SCHEMBL6997672

SCHEMBL6997672

CCOC(=O)C1(C(=O)OCC)CC2CCC(C1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.38
PTPN1 P18031 2/20 0.38
PPP1CC P36873 2/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GRM1 Q13255 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8319234 0.96 PPM1B (0.36) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL7001290 0.82 PPM1B (0.36) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL4445787 0.81 PPM1B (0.43) PPM1BPTPN1PPP1CCATMPOLB
Hydrochloric Acid SCHEMBL7001285 0.81 PPM1B (0.35) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL6999788 0.81 PPM1B (0.35) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL6999790 0.81 PPM1B (0.35) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL11540510 0.79 ALDH1A1 (0.37) PPM1BPTPN1ATMPOLBALDH1A1
SCHEMBL12030067 0.76 ALDH1A1 (0.39) ATMPOLBALDH1A1KDM4ELMNA
SCHEMBL11938481 0.76 ALDH1A1 (0.39) ATMPOLBALDH1A1KDM4ELMNA
SCHEMBL1962459 0.76 ALDH1A1 (0.39) ATMPOLBALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6288246-B1 REACTION OF HYDROXYLAMINE WITH ALKYLSILYL HALIDE, HYDROLYSIS WITH ACID PFIZER INC 2001-09-11 US disclosed
EP-1070069-A1 BICYCLIC HYDROXAMIC ACID DERIVATIVES Pfizer Products Inc. (US) 2001-01-24 EP disclosed
US-6110964-A FOR TREATING ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, EMPHYSEMA, ACUTE RESPIRATORY DISTRESS SYNDROME, ASTHMA CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ALZHEIMER'S DISEASE, ORGAN TRANSPLANT TOXICITY, CACHEXIA, CANCER PFIZER INC. (US) 2000-08-29 US disclosed
WO-1999052910-A1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed
EP-0949244-A2 Process for preparing hydroxamic acids Pfizer Products Inc. (US) 1999-10-13 EP disclosed