SCHEMBL8907116

SCHEMBL8907116

CC(C)C1CCC(NC(=O)Cc2c(Cl)cccc2Cl)(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 1/20 0.42
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SHMT1 P34896 2/20 0.38
SHMT2 P34897 2/20 0.38
PYGL P06737 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ACKR3 P25106 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.36
P2RX7 Q99572 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CXCR5 P32302 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
SCHEMBL8907162 0.92 ALDH1A1 (0.50) KMT2AALDH1A1POLBHPGDLMNA
SCHEMBL6475232 0.90 KMT2A (0.40) KMT2ASIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL8906958 0.88 KMT2A (0.47) KMT2ASIGMAR1AKR1B1ALDH1A1PYGL
SCHEMBL8905949 0.86 KMT2A (0.52) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8906506 0.84 KMT2A (0.50) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8906824 0.83 KMT2A (0.49) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8907213 0.82 KMT2A (0.50) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL6474633 0.82 KMT2A (0.40) KMT2ASIGMAR1ALDH1A1POLBLMNA
SCHEMBL8906884 0.82 SMN1; SMN2 (0.49) KMT2AALDH1A1POLBHPGDLMNA
SCHEMBL8906049 0.81 KMT2A (0.49) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed