SCHEMBL8501977

SCHEMBL8501977

CCC(=O)OCC(I)=C(Br)I

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
RECQL P46063 1/20 0.34
TRPA1 O75762 1/20 0.33
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PAM P19021 2/20 0.31

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
SCHEMBL11056307 1.00 NAAA (0.38) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL11058250 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2TRPA1PAM
SCHEMBL11058254 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2TRPA1PAM
SCHEMBL8591457 0.82 NAAA (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL11051185 0.80 PAM (0.50) ALDH1A1CYP1A2PAM
SCHEMBL11051189 0.80 PAM (0.50) ALDH1A1CYP1A2PAM
SCHEMBL11050446 0.80 TRPA1 (0.44) ALDH1A1CYP2C19TRPA1
SCHEMBL11050433 0.80 TRPA1 (0.44) ALDH1A1CYP2C19TRPA1
SCHEMBL11052932 0.79 PAM (0.58) ALDH1A1PAM
SCHEMBL11052935 0.79 PAM (0.58) ALDH1A1PAM

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-5990043-A COMPRISES AT LEAST ONE INSECTICIDE SELECTED FROM TRIFLUMURON, FLUFENOXURON, FLUCYCLOXURON, HEXAFLUMURON, AND OTHERS; A CARRIER AND BINDER; PROTECTS ITEMS SUCH AS SHIP HULLS IN BRACKISH OR SEAWATER FROM BARNICLE INFESTATIONS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed