Thiophene

Thiophene

SCHEMBL28550995

CC(=O)O.CC(=O)O.c1ccsc1

nearest known ligand 0.47

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Thiophene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
FFAR3 O14843 1/20 0.47
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.31
DAO P14920 2/20 0.31
NAPRT Q6XQN6 1/20 0.31
HSD17B10 Q99714 1/20 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
Thiophene SCHEMBL502436 1.00
Acetic Acid SCHEMBL29616843 1.00 LCK (0.47) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL28167483 1.00 LCK (0.47) LCKFYNFFAR3CES2CES1
Acetic Acid SCHEMBL755556 1.00 LCK (0.47) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL936675 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL28856570 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL28163543 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL27698822 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL27849176 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1
Thiophene SCHEMBL27618627 0.97 FFAR3 (0.44) LCKFYNFFAR3CES2CES1

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
CN-118791461-A Method for preparing thiophene ester compound from levulinate ester compound 厦门大学 2024-10-18 CN disclosed
CN-110128641-B Five-membered ring electrostatic dissipation copolyester and preparation method and application thereof 广东轻工职业技术学院 2021-04-13 CN disclosed